methyl (3S)-6,7-dimethoxy-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-6,7-dimethoxy-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-6,7-dimethoxy-2-[2-(4-methylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-6,7-dimethoxy-2-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-6,7-dimethoxy-2-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-keto-2-(p-toluidino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CC3=CC(=C(C=C3CC2C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CC3=CC(=C(C=C3C[C@H]2C(=O)OC)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-14-5-7-17(8-6-14)23-21(25)13-24-12-16-11-20(28-3)19(27-2)10-15(16)9-18(24)22(26)29-4/h5-8,10-11,18H,9,12-13H2,1-4H3,(H,23,25)/t18-/m0/s1