7-[4-(1-butoxyethoxy)phenyl]-1-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2,5-dimethoxybenzyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C32H37NO6 MolecularWeight: 531.63928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C32H37NO6/c1-5-6-17-38-22(2)39-28-10-7-23(8-11-28)24-9-13-30-26(18-24)19-25(32(34)35)15-16-33(30)21-27-20-29(36-3)12-14-31(27)37-4/h7-14,18-20,22H,5-6,15-17,21H2,1-4H3,(H,34,35)