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

Systemtic Name: 8-(2-methylpropyl)-11-(phenylmethyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid Openeye Name: 11-benzyl-8-isobutyl-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid CAS Name: 8-(2-methylpropyl)-11-(phenylmethyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid IUPAC Name: 11-benzyl-8-(2-methylpropyl)-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid Traditional Name: 11-benzyl-8-isobutyl-5,6-dihydrobenzo[b][1]benzazepine-3-carboxylic acid Formula: C26H27NO2 MolecularWeight: 385.49808

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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)O)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO2/c1-18(2)14-20-8-12-24-21(15-20)9-10-22-16-23(26(28)29)11-13-25(22)27(24)17-19-6-4-3-5-7-19/h3-8,11-13,15-16,18H,9-10,14,17H2,1-2H3,(H,28,29)