methyl (3S)-6,7-dimethoxy-1-(1-methylpyrrol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-6,7-dimethoxy-1-(1-methylpyrrol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (3S)-6,7-dimethoxy-1-(1-methylpyrrol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (3S)-6,7-dimethoxy-1-(1-methyl-2-pyrrolyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-6,7-dimethoxy-1-(1-methylpyrrol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (3S)-6,7-dimethoxy-1-(1-methylpyrrol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C3=CC(=C(C=C3CC(N2)C(=O)OC)OC)OC

Isomeric SMILES

CN1C=CC=C1C2C3=CC(=C(C=C3C[C@H](N2)C(=O)OC)OC)OC

InChI

InChI=1S/C18H22N2O4/c1-20-7-5-6-14(20)17-12-10-16(23-3)15(22-2)9-11(12)8-13(19-17)18(21)24-4/h5-7,9-10,13,17,19H,8H2,1-4H3/t13-,17?/m0/s1