(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H24ClNO5 MolecularWeight: 477.93616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClNO5/c1-16(2)13-22(29-26(31)18-7-10-20(28)11-8-18)27(32)33-15-19-14-24(30)34-23-12-9-17-5-3-4-6-21(17)25(19)23/h3-12,14,16,22H,13,15H2,1-2H3,(H,29,31)