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

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-m-anisyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C31H35NO5 MolecularWeight: 501.6133

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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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H35NO5/c1-4-5-17-36-22(2)37-28-12-9-24(10-13-28)25-11-14-30-27(19-25)20-26(31(33)34)15-16-32(30)21-23-7-6-8-29(18-23)35-3/h6-14,18-20,22H,4-5,15-17,21H2,1-3H3,(H,33,34)