methyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indole-6-carboxylate

Systemtic Name: methyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indole-6-carboxylate Openeye Name: methyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]indole-6-carboxylate CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-6-carboxylate Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]indole-6-carboxylic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=CN2CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=CN2CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20N2O3/c1-26-21(25)17-7-6-16-9-10-22(19(16)12-17)14-20(24)23-11-8-15-4-2-3-5-18(15)13-23/h2-7,9-10,12H,8,11,13-14H2,1H3