(2S)-2-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,3-diphenyl-8-benzo[f][1]benzopyranyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]-3-methyl-butyrate Formula: C31H26NO4- MolecularWeight: 476.54244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)C3=C(C=C2)OC(C=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)C3=C(C=C2)OC(C=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO4/c1-20(2)28(30(34)35)32-29(33)22-13-15-25-21(19-22)14-16-27-26(25)17-18-31(36-27,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,28H,1-2H3,(H,32,33)(H,34,35)/p-1/t28-/m0/s1