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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-o-anisyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4OC

InChI

InChI=1S/C28H29NO4/c1-3-16-33-25-11-8-20(9-12-25)21-10-13-26-24(17-21)18-22(28(30)31)14-15-29(26)19-23-6-4-5-7-27(23)32-2/h4-13,17-18H,3,14-16,19H2,1-2H3,(H,30,31)