(3S,4S)-2-methyl-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-2-methyl-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-methyl-1-oxo-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-methyl-3-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-methyl-3-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-2-methyl-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2C)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-11-7-9-12(10-8-11)16-15(18(21)22)13-5-3-4-6-14(13)17(20)19(16)2/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16+/m0/s1