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

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

Click to see the large picture

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=C4OC

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4OC

InChI

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