2-[2-methyl-1-[4-(3-pyrrol-1-ylpropoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(3-pyrrol-1-ylpropoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(3-pyrrol-1-ylpropoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-[3-(1-pyrrolyl)propoxy]phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(3-pyrrol-1-ylpropoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(3-pyrrol-1-ylpropoxy)benzoyl]indol-4-yl]acetic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCCN4C=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCCN4C=CC=C4)CC(=O)O

InChI

InChI=1S/C25H24N2O4/c1-18-16-22-20(17-24(28)29)6-4-7-23(22)27(18)25(30)19-8-10-21(11-9-19)31-15-5-14-26-12-2-3-13-26/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,28,29)