(2Z)-2-[(3S)-3-benzamido-4-(4-hydroxyphenyl)-2-oxidanylidene-butylidene]butanedioic acid

Systemtic Name: (2Z)-2-[(3S)-3-benzamido-4-(4-hydroxyphenyl)-2-oxidanylidene-butylidene]butanedioic acid Openeye Name: (2Z)-2-[(3S)-3-benzamido-4-(4-hydroxyphenyl)-2-oxo-butylidene]butanedioic acid CAS Name: (2Z)-2-[(3S)-3-benzamido-4-(4-hydroxyphenyl)-2-oxobutylidene]butanedioic acid IUPAC Name: (2Z)-2-[(3S)-3-benzamido-4-(4-hydroxyphenyl)-2-oxobutylidene]butanedioic acid Traditional Name: (2Z)-2-[(3S)-3-benzamido-4-(4-hydroxyphenyl)-2-keto-butylidene]succinic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)C=C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)/C=C(/CC(=O)O)\C(=O)O

InChI

InChI=1S/C21H19NO7/c23-16-8-6-13(7-9-16)10-17(22-20(27)14-4-2-1-3-5-14)18(24)11-15(21(28)29)12-19(25)26/h1-9,11,17,23H,10,12H2,(H,22,27)(H,25,26)(H,28,29)/b15-11-/t17-/m0/s1