2-azanyl-4-[5,6-bis(chloranyl)-1H-indol-2-yl]-2-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butanoic acid

Systemtic Name: 2-azanyl-4-[5,6-bis(chloranyl)-1H-indol-2-yl]-2-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butanoic acid Openeye Name: 2-amino-3-benzyl-4-(5,6-dichloro-1H-indol-2-yl)-2-hydroxy-4-oxo-butanoic acid CAS Name: 2-amino-4-(5,6-dichloro-1H-indol-2-yl)-2-hydroxy-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: 2-amino-3-benzyl-4-(5,6-dichloro-1H-indol-2-yl)-2-hydroxy-4-oxobutanoic acid Traditional Name: 2-amino-3-benzyl-4-(5,6-dichloro-1H-indol-2-yl)-2-hydroxy-4-keto-butyric acid Formula: C19H16Cl2N2O4 MolecularWeight: 407.24734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=CC3=CC(=C(C=C3N2)Cl)Cl)C(C(=O)O)(N)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=CC3=CC(=C(C=C3N2)Cl)Cl)C(C(=O)O)(N)O

InChI

InChI=1S/C19H16Cl2N2O4/c20-13-7-11-8-16(23-15(11)9-14(13)21)17(24)12(19(22,27)18(25)26)6-10-4-2-1-3-5-10/h1-5,7-9,12,23,27H,6,22H2,(H,25,26)