2-[1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-indol-3-yl]prop-2-enoic acid

Systemtic Name: 2-[1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-indol-3-yl]prop-2-enoic acid Openeye Name: 2-[1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-indol-3-yl]prop-2-enoic acid CAS Name: 2-[1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-3-indolyl]-2-propenoic acid IUPAC Name: 2-[1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonylindol-3-yl]prop-2-enoic acid Traditional Name: 2-[2-carbethoxy-1-(3,4-dichlorobenzyl)indol-3-yl]acrylic acid Formula: C21H17Cl2NO4 MolecularWeight: 418.26998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)C(=C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)C(=C)C(=O)O

InChI

InChI=1S/C21H17Cl2NO4/c1-3-28-21(27)19-18(12(2)20(25)26)14-6-4-5-7-17(14)24(19)11-13-8-9-15(22)16(23)10-13/h4-10H,2-3,11H2,1H3,(H,25,26)