methyl (3R)-2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-morpholinoanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-(4-morpholinoanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H27N3O4/c1-29-23(28)21-14-17-4-2-3-5-18(17)15-26(21)16-22(27)24-19-6-8-20(9-7-19)25-10-12-30-13-11-25/h2-9,21H,10-16H2,1H3,(H,24,27)/t21-/m1/s1