(E)-3-[2-methyl-1-(4-propoxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-methyl-1-(4-propoxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-methyl-1-(4-propoxybenzoyl)indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-methyl-1-[oxo-(4-propoxyphenyl)methyl]-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methyl-1-(4-propoxybenzoyl)indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-methyl-1-(4-propoxybenzoyl)indol-4-yl]acrylic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C=CC(=O)O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)/C=C/C(=O)O)C

InChI

InChI=1S/C22H21NO4/c1-3-13-27-18-10-7-17(8-11-18)22(26)23-15(2)14-19-16(9-12-21(24)25)5-4-6-20(19)23/h4-12,14H,3,13H2,1-2H3,(H,24,25)/b12-9+