2-[1-ethanoyl-3,3-bis(ethoxycarbonyl)-5-methoxy-2-methyl-indol-2-yl]prop-2-enoic acid

Systemtic Name: 2-[1-ethanoyl-3,3-bis(ethoxycarbonyl)-5-methoxy-2-methyl-indol-2-yl]prop-2-enoic acid Openeye Name: 2-[1-acetyl-3,3-bis(ethoxycarbonyl)-5-methoxy-2-methyl-indolin-2-yl]prop-2-enoic acid CAS Name: 2-[1-acetyl-3,3-bis(ethoxycarbonyl)-5-methoxy-2-methyl-2-indolyl]-2-propenoic acid IUPAC Name: 2-[1-acetyl-3,3-bis(ethoxycarbonyl)-5-methoxy-2-methylindol-2-yl]prop-2-enoic acid Traditional Name: 2-(1-acetyl-3,3-dicarbethoxy-5-methoxy-2-methyl-indolin-2-yl)acrylic acid Formula: C21H25NO8 MolecularWeight: 419.4251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=C(C=CC(=C2)OC)N(C1(C)C(=C)C(=O)O)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C2=C(C=CC(=C2)OC)N(C1(C)C(=C)C(=O)O)C(=O)C)C(=O)OCC

InChI

InChI=1S/C21H25NO8/c1-7-29-18(26)21(19(27)30-8-2)15-11-14(28-6)9-10-16(15)22(13(4)23)20(21,5)12(3)17(24)25/h9-11H,3,7-8H2,1-2,4-6H3,(H,24,25)