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

Systemtic Name: (E)-3-[2-methyl-1-(4-pentoxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-methyl-1-(4-pentoxybenzoyl)indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-methyl-1-[oxo-(4-pentoxyphenyl)methyl]-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methyl-1-(4-pentoxybenzoyl)indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-amoxybenzoyl)-2-methyl-indol-4-yl]acrylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C=CC(=O)O)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)/C=C/C(=O)O)C

InChI

InChI=1S/C24H25NO4/c1-3-4-5-15-29-20-12-9-19(10-13-20)24(28)25-17(2)16-21-18(11-14-23(26)27)7-6-8-22(21)25/h6-14,16H,3-5,15H2,1-2H3,(H,26,27)/b14-11+