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

Systemtic Name: ethyl (Z)-4-[5-methoxy-1-(phenylmethyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: ethyl (Z)-4-(1-benzyl-5-methoxy-indol-3-yl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (Z)-4-hydroxy-4-[5-methoxy-1-(phenylmethyl)-3-indolyl]-2-oxo-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-4-(1-benzyl-5-methoxyindol-3-yl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(1-benzyl-5-methoxy-indol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid ethyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C=C(C1=CN(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C(=O)/C=C(/C1=CN(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)\O

InChI

InChI=1S/C22H21NO5/c1-3-28-22(26)21(25)12-20(24)18-14-23(13-15-7-5-4-6-8-15)19-10-9-16(27-2)11-17(18)19/h4-12,14,24H,3,13H2,1-2H3/b20-12-