(2S)-4-oxidanylidene-4-phenyl-2-[1-(phenylmethyl)indol-3-yl]butanoate

Systemtic Name: (2S)-4-oxidanylidene-4-phenyl-2-[1-(phenylmethyl)indol-3-yl]butanoate Openeye Name: (2S)-2-(1-benzylindol-3-yl)-4-oxo-4-phenyl-butanoate CAS Name: (2S)-4-oxo-4-phenyl-2-[1-(phenylmethyl)-3-indolyl]butanoate IUPAC Name: (2S)-2-(1-benzylindol-3-yl)-4-oxo-4-phenylbutanoate Traditional Name: (2S)-2-(1-benzylindol-3-yl)-4-keto-4-phenyl-butyrate Formula: C25H20NO3- MolecularWeight: 382.4312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(CC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)[C@H](CC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H21NO3/c27-24(19-11-5-2-6-12-19)15-21(25(28)29)22-17-26(16-18-9-3-1-4-10-18)23-14-8-7-13-20(22)23/h1-14,17,21H,15-16H2,(H,28,29)/p-1/t21-/m0/s1