methyl 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C31H33NO6 MolecularWeight: 515.59682

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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)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H33NO6/c1-3-4-15-35-16-17-36-27-9-5-22(6-10-27)23-7-11-28-25(18-23)19-24(31(33)34-2)13-14-32(28)26-8-12-29-30(20-26)38-21-37-29/h5-12,18-20H,3-4,13-17,21H2,1-2H3