benzoic acid; 8-cyclononyl-7-methyl-1,5-bis(phenylmethyl)-1,5-diazonan-7-ol

Systemtic Name: benzoic acid; 8-cyclononyl-7-methyl-1,5-bis(phenylmethyl)-1,5-diazonan-7-ol Openeye Name: benzoic acid; 1,5-dibenzyl-8-cyclononyl-7-methyl-1,5-diazonan-7-ol CAS Name: benzoic acid; 8-cyclononyl-7-methyl-1,5-bis(phenylmethyl)-1,5-diazonan-7-ol IUPAC Name: benzoic acid; 1,5-dibenzyl-8-cyclononyl-7-methyl-1,5-diazonan-7-ol Traditional Name: benzoic acid; 1,5-dibenzyl-8-cyclononyl-7-methyl-1,5-diazonan-7-ol Formula: C38H52N2O3 MolecularWeight: 584.83108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCCN(CC1C2CCCCCCCC2)CC3=CC=CC=C3)CC4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1(CN(CCCN(CC1C2CCCCCCCC2)CC3=CC=CC=C3)CC4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C31H46N2O.C7H6O2/c1-31(34)26-33(24-28-17-10-7-11-18-28)22-14-21-32(23-27-15-8-6-9-16-27)25-30(31)29-19-12-4-2-3-5-13-20-29;8-7(9)6-4-2-1-3-5-6/h6-11,15-18,29-30,34H,2-5,12-14,19-26H2,1H3;1-5H,(H,8,9)