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

Systemtic Name: (E)-3-[2-methyl-1-[4-(3-methylbutoxy)phenyl]carbonyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-isopentyloxybenzoyl)-2-methyl-indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-methyl-1-[[4-(3-methylbutoxy)phenyl]-oxomethyl]-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methyl-1-[4-(3-methylbutoxy)benzoyl]indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-isoamoxybenzoyl)-2-methyl-indol-4-yl]acrylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC(C)C)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC(C)C)/C=C/C(=O)O

InChI

InChI=1S/C24H25NO4/c1-16(2)13-14-29-20-10-7-19(8-11-20)24(28)25-17(3)15-21-18(9-12-23(26)27)5-4-6-22(21)25/h4-12,15-16H,13-14H2,1-3H3,(H,26,27)/b12-9+