(3S)-3-(4-chlorophenyl)-4-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate

Systemtic Name: (3S)-3-(4-chlorophenyl)-4-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: (3S)-3-(4-chlorophenyl)-4-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: (3S)-3-(4-chlorophenyl)-4-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]butyrate Formula: C24H23ClNO6- MolecularWeight: 456.89552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NCC(CC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC[C@@H](CC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClNO6/c1-14-19-8-7-18(31-2)12-21(19)32-24(30)20(14)9-10-22(27)26-13-16(11-23(28)29)15-3-5-17(25)6-4-15/h3-8,12,16H,9-11,13H2,1-2H3,(H,26,27)(H,28,29)/p-1/t16-/m1/s1