4-[4-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]pyrrol-2-yl]butan-2-yl]benzoic acid

Systemtic Name: 4-[4-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]pyrrol-2-yl]butan-2-yl]benzoic acid Openeye Name: 4-[1-methyl-3-[1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]pyrrol-2-yl]propyl]benzoic acid CAS Name: 4-[4-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-pyrrolyl]butan-2-yl]benzoic acid IUPAC Name: 4-[4-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]pyrrol-2-yl]butan-2-yl]benzoic acid Traditional Name: 4-[3-[1-[2-keto-2-[methyl(phenethyl)amino]ethyl]pyrrol-2-yl]-1-methyl-propyl]benzoic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CN1CC(=O)N(C)CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CN1CC(=O)N(C)CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H30N2O3/c1-20(22-11-13-23(14-12-22)26(30)31)10-15-24-9-6-17-28(24)19-25(29)27(2)18-16-21-7-4-3-5-8-21/h3-9,11-14,17,20H,10,15-16,18-19H2,1-2H3,(H,30,31)