methyl (E)-4-[4-acetyloxy-3,3,7-trimethyl-2-oxidanylidene-1-(phenylmethyl)indol-5-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[4-acetyloxy-3,3,7-trimethyl-2-oxidanylidene-1-(phenylmethyl)indol-5-yl]but-2-enoate Openeye Name: methyl (E)-4-(4-acetoxy-1-benzyl-3,3,7-trimethyl-2-oxo-indolin-5-yl)but-2-enoate CAS Name: (E)-4-[4-acetyloxy-3,3,7-trimethyl-2-oxo-1-(phenylmethyl)-5-indolyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-acetyloxy-1-benzyl-3,3,7-trimethyl-2-oxoindol-5-yl)but-2-enoate Traditional Name: (E)-4-(4-acetoxy-1-benzyl-2-keto-3,3,7-trimethyl-indolin-5-yl)but-2-enoic acid methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N(C(=O)C2(C)C)CC3=CC=CC=C3)OC(=O)C)CC=CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C2=C1N(C(=O)C2(C)C)CC3=CC=CC=C3)OC(=O)C)C/C=C/C(=O)OC

InChI

InChI=1S/C25H27NO5/c1-16-14-19(12-9-13-20(28)30-5)23(31-17(2)27)21-22(16)26(24(29)25(21,3)4)15-18-10-7-6-8-11-18/h6-11,13-14H,12,15H2,1-5H3/b13-9+