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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCC4=CC=CC=C4C3

InChI

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