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

Systemtic Name: methyl 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-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:

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO4/c1-3-17-33-18-19-34-27-12-9-22(10-13-27)23-11-14-28-25(20-23)21-24(29(31)32-2)15-16-30(28)26-7-5-4-6-8-26/h4-14,20-21H,3,15-19H2,1-2H3