(3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C30H31NO5 MolecularWeight: 485.57084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H31NO5/c1-18(2)27(31-28(33)20-10-13-22(14-11-20)30(3,4)5)29(34)35-17-21-16-25(32)36-24-15-12-19-8-6-7-9-23(19)26(21)24/h6-16,18,27H,17H2,1-5H3,(H,31,33)/t27-/m0/s1