butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azocan-2-one

Systemtic Name: butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azocan-2-one Openeye Name: butanedioate; 1-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-2-furyl]methyl]azocan-2-one CAS Name: butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-furanyl]methyl]-2-azocanone IUPAC Name: butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azocan-2-one Traditional Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-2-furyl]methyl]azocan-2-one; succinate Formula: C30H41N3O7-2 MolecularWeight: 555.66244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)CN4CCCCCCC4=O.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)CN4CCCCCCC4=O.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C26H37N3O3.C4H6O4/c1-21(2)31-25-10-7-6-9-24(25)28-17-15-27(16-18-28)19-22-12-13-23(32-22)20-29-14-8-4-3-5-11-26(29)30;5-3(6)1-2-4(7)8/h6-7,9-10,12-13,21H,3-5,8,11,14-20H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/p-2