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

Systemtic Name: (3S)-3-(4-chlorophenyl)-4-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoate Openeye Name: (3S)-3-(4-chlorophenyl)-4-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoate IUPAC Name: (3S)-3-(4-chlorophenyl)-4-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]butyrate Formula: C22H19ClNO6- MolecularWeight: 428.84236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO6/c1-12-17-7-6-16(25)9-19(17)30-22(29)18(12)10-20(26)24-11-14(8-21(27)28)13-2-4-15(23)5-3-13/h2-7,9,14,25H,8,10-11H2,1H3,(H,24,26)(H,27,28)/p-1/t14-/m1/s1