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

Systemtic Name: (3S)-3-(4-chlorophenyl)-4-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: (3S)-3-(4-chlorophenyl)-4-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: (3S)-3-(4-chlorophenyl)-4-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyrate Formula: C23H21ClNO6- MolecularWeight: 442.86894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO6/c1-13-18-7-6-17(26)11-20(18)31-23(30)19(13)8-9-21(27)25-12-15(10-22(28)29)14-2-4-16(24)5-3-14/h2-7,11,15,26H,8-10,12H2,1H3,(H,25,27)(H,28,29)/p-1/t15-/m1/s1