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

Systemtic Name: methyl (3R)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CC4=CC=CC=C4C[C@@H]3C(=O)OC

InChI

InChI=1S/C24H29N3O4/c1-30-21-9-7-20(8-10-21)25-11-13-26(14-12-25)23(28)17-27-16-19-6-4-3-5-18(19)15-22(27)24(29)31-2/h3-10,22H,11-17H2,1-2H3/t22-/m1/s1