(3S,4R)-1-oxidanylidene-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-1-oxidanylidene-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-1-oxo-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-1-oxo-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-1-oxo-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO3/c26-23-20-14-8-7-13-19(20)21(24(27)28)22(18-11-5-2-6-12-18)25(23)16-15-17-9-3-1-4-10-17/h1-14,21-22H,15-16H2,(H,27,28)/t21-,22-/m1/s1