methyl (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4S)-3-(1-methyl-2-pyrrolyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4S)-1-keto-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H24N2O3/c1-25-15-8-13-20(25)22-21(24(28)29-2)18-11-6-7-12-19(18)23(27)26(22)16-14-17-9-4-3-5-10-17/h3-13,15,21-22H,14,16H2,1-2H3/t21-,22+/m0/s1