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

Systemtic Name: (Z)-4-[5-methoxy-1-(phenylmethyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (Z)-4-(1-benzyl-5-methoxy-indol-3-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (Z)-4-hydroxy-4-[5-methoxy-1-(phenylmethyl)-3-indolyl]-2-oxo-3-butenoic acid IUPAC Name: (Z)-4-(1-benzyl-5-methoxyindol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (Z)-4-(1-benzyl-5-methoxy-indol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-10,12,22H,11H2,1H3,(H,24,25)/b18-10-