(3S,4S)-3-(1-methylindol-3-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(1-methylindol-3-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-benzyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(1-methyl-3-indolyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-benzyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-benzyl-1-keto-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@@H]3[C@H](C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H22N2O3/c1-27-16-21(18-11-7-8-14-22(18)27)24-23(26(30)31)19-12-5-6-13-20(19)25(29)28(24)15-17-9-3-2-4-10-17/h2-14,16,23-24H,15H2,1H3,(H,30,31)/t23-,24+/m0/s1