2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-prop-2-enyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-prop-2-enyl-indol-3-yl]ethanoic acid Openeye Name: 2-[2-allyl-1-(4-chlorobenzoyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-prop-2-enyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-prop-2-enylindol-3-yl]acetic acid Traditional Name: 2-[2-allyl-1-(4-chlorobenzoyl)-5-methoxy-indol-3-yl]acetic acid Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)CC=C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)CC=C)C(=O)C3=CC=C(C=C3)Cl

InChI

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