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

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(phenylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-benzyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(phenylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-benzyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C31H35NO4/c1-3-4-18-35-19-20-36-29-13-10-25(11-14-29)26-12-15-30-28(21-26)22-27(31(33)34-2)16-17-32(30)23-24-8-6-5-7-9-24/h5-15,21-22H,3-4,16-20,23H2,1-2H3