(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO5/c1-16(2)24(28-25(30)18-8-10-20(11-9-18)27(4,5)6)26(31)32-15-19-14-23(29)33-22-13-17(3)7-12-21(19)22/h7-14,16,24H,15H2,1-6H3,(H,28,30)