methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]isoquinoline-4-carboxylic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN3C=C(C4=CC=CC=C4C3=O)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN3C=C(C4=CC=CC=C4C3=O)C(=O)OC

InChI

InChI=1S/C22H20N2O4/c1-27-15-7-8-20-18(11-15)14(12-23-20)9-10-24-13-19(22(26)28-2)16-5-3-4-6-17(16)21(24)25/h3-8,11-13,23H,9-10H2,1-2H3