(3S,4S)-1-oxidanylidene-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-1-oxidanylidene-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid CAS Name: (3S,4S)-1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2)C(=O)O

InChI

InChI=1S/C16H13NO3/c18-15-12-9-5-4-8-11(12)13(16(19)20)14(17-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,17,18)(H,19,20)/t13-,14+/m0/s1