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

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(3-propoxybenzyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C33H39NO5 MolecularWeight: 529.66646

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C33H39NO5/c1-4-6-19-37-24(3)39-30-13-10-26(11-14-30)27-12-15-32-29(21-27)22-28(33(35)36)16-17-34(32)23-25-8-7-9-31(20-25)38-18-5-2/h7-15,20-22,24H,4-6,16-19,23H2,1-3H3,(H,35,36)