(Z)-4-[1-[(4-cyanophenyl)methyl]-5-methoxy-indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (Z)-4-[1-[(4-cyanophenyl)methyl]-5-methoxy-indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (Z)-4-[1-[(4-cyanophenyl)methyl]-5-methoxy-indol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (Z)-4-[1-[(4-cyanophenyl)methyl]-5-methoxy-3-indolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (Z)-4-[1-[(4-cyanophenyl)methyl]-5-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (Z)-4-[1-(4-cyanobenzyl)-5-methoxy-indol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(=CC(=O)C(=O)O)O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2/C(=C/C(=O)C(=O)O)/O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N2O5/c1-28-15-6-7-18-16(8-15)17(19(24)9-20(25)21(26)27)12-23(18)11-14-4-2-13(10-22)3-5-14/h2-9,12,24H,11H2,1H3,(H,26,27)/b19-9-