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

Systemtic Name: (3S,4S)-3-(1H-indol-3-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-benzyl-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-benzyl-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-benzyl-3-(1H-indol-3-yl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H]([C@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H20N2O3/c28-24-19-12-5-4-11-18(19)22(25(29)30)23(27(24)15-16-8-2-1-3-9-16)20-14-26-21-13-7-6-10-17(20)21/h1-14,22-23,26H,15H2,(H,29,30)/t22-,23+/m0/s1