methyl 8-(2-methylpropyl)-11-(phenylmethyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylate

Systemtic Name: methyl 8-(2-methylpropyl)-11-(phenylmethyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylate Openeye Name: methyl 11-benzyl-8-isobutyl-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylate CAS Name: 8-(2-methylpropyl)-11-(phenylmethyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 11-benzyl-8-(2-methylpropyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylate Traditional Name: 11-benzyl-8-isobutyl-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid methyl ester Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)N(C3=C(CC2)C=C(C=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)N(C3=C(CC2)C=C(C=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H29NO2/c1-19(2)15-21-9-13-25-22(16-21)10-11-23-17-24(27(29)30-3)12-14-26(23)28(25)18-20-7-5-4-6-8-20/h4-9,12-14,16-17,19H,10-11,15,18H2,1-3H3