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

Systemtic Name: methyl 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methoxyphenyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-o-anisyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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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)OC)CC4=CC=CC=C4OC

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4/c1-4-17-34-26-12-9-21(10-13-26)22-11-14-27-25(18-22)19-23(29(31)33-3)15-16-30(27)20-24-7-5-6-8-28(24)32-2/h5-14,18-19H,4,15-17,20H2,1-3H3