methyl 2-oxidanylidene-3-(phenylmethyl)-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-3-(phenylmethyl)-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate Openeye Name: methyl 3-benzyl-2-oxo-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate CAS Name: 2-oxo-3-(phenylmethyl)-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-oxo-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate Traditional Name: 3-benzyl-2-keto-4,5,6,11-tetrahydro-1H-azocin[4,5-b]indole-1-carboxylic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(CCCN(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4N2

Isomeric SMILES

COC(=O)C1C2=C(CCCN(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4N2

InChI

InChI=1S/C22H22N2O3/c1-27-22(26)19-20-17(16-10-5-6-12-18(16)23-20)11-7-13-24(21(19)25)14-15-8-3-2-4-9-15/h2-6,8-10,12,19,23H,7,11,13-14H2,1H3