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

Systemtic Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methyl-2-imidazolyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4=NC=CN4C

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4=NC=CN4C

InChI

InChI=1S/C29H35N3O4/c1-5-6-17-35-21(2)36-26-10-7-22(8-11-26)23-9-12-27-25(18-23)19-24(29(33)34-4)13-15-32(27)20-28-30-14-16-31(28)3/h7-12,14,16,18-19,21H,5-6,13,15,17,20H2,1-4H3