methyl (3R)-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3/c1-29-23(28)21-12-16-6-2-3-7-18(16)14-26(21)15-22(27)24-11-10-17-13-25-20-9-5-4-8-19(17)20/h2-9,13,21,25H,10-12,14-15H2,1H3,(H,24,27)/t21-/m1/s1