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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)methyl]-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)methyl]-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)methyl]-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-o-anisyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C30H33NO5 MolecularWeight: 487.58672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO5/c1-4-17-35-21(2)36-27-12-9-22(10-13-27)23-11-14-28-26(18-23)19-24(30(32)33)15-16-31(28)20-25-7-5-6-8-29(25)34-3/h5-14,18-19,21H,4,15-17,20H2,1-3H3,(H,32,33)