(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]methanone; 2-(2,2-dicyclohexylethyl)piperidine; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]methanone; 2-(2,2-dicyclohexylethyl)piperidine; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone; 2-(2,2-dicyclohexylethyl)piperidine; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: (2-butyl-3-benzofuranyl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone; 2-(2,2-dicyclohexylethyl)piperidine; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone; 2-(2,2-dicyclohexylethyl)piperidine; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone; 2-(2,2-dicyclohexylethyl)piperidine; 1-(2,3,4-trimethoxybenzyl)piperazine Formula: C58H86I2N4O6 MolecularWeight: 1189.13558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3

InChI

InChI=1S/C25H29I2NO3.C19H35N.C14H22N2O3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;16-20H,1-15H2;4-5,15H,6-10H2,1-3H3