(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H25ClN2O6 MolecularWeight: 484.9288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H25ClN2O6/c1-14(2)10-21(28-24(31)16-4-6-18(26)7-5-16)25(32)33-13-17-11-23(30)34-22-12-19(27-15(3)29)8-9-20(17)22/h4-9,11-12,14,21H,10,13H2,1-3H3,(H,27,29)(H,28,31)