2-[2-methyl-1-[4-[(1-phenylcyclopropyl)methoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-[(1-phenylcyclopropyl)methoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[(1-phenylcyclopropyl)methoxy]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-[(1-phenylcyclopropyl)methoxy]phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-[(1-phenylcyclopropyl)methoxy]benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[(1-phenylcyclopropyl)methoxy]benzoyl]indol-4-yl]acetic acid Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4(CC4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4(CC4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C28H25NO4/c1-19-16-24-21(17-26(30)31)6-5-9-25(24)29(19)27(32)20-10-12-23(13-11-20)33-18-28(14-15-28)22-7-3-2-4-8-22/h2-13,16H,14-15,17-18H2,1H3,(H,30,31)