(3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(1-methyl-2-pyrrolyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-3-(1-methylpyrrol-2-yl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c1-24-14-7-12-19(24)21-20(23(27)28)17-10-5-6-11-18(17)22(26)25(21)15-13-16-8-3-2-4-9-16/h2-12,14,20-21H,13,15H2,1H3,(H,27,28)/t20-,21+/m0/s1