(E)-4-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]but-3-enoic acid

Systemtic Name: (E)-4-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]but-3-enoic acid Openeye Name: (E)-4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]but-3-enoic acid CAS Name: (E)-4-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-3-butenoic acid IUPAC Name: (E)-4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]but-3-enoic acid Traditional Name: (E)-4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]but-3-enoic acid Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)C=CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)/C=C/CC(=O)O

InChI

InChI=1S/C21H18ClNO4/c1-13-17(4-3-5-20(24)25)18-12-16(27-2)10-11-19(18)23(13)21(26)14-6-8-15(22)9-7-14/h3-4,6-12H,5H2,1-2H3,(H,24,25)/b4-3+