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

Systemtic Name: 2-[2-methyl-1-[3-(3-phenylpropoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[3-(3-phenylpropoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[3-(3-phenylpropoxy)phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[3-(3-phenylpropoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[3-(3-phenylpropoxy)benzoyl]indol-4-yl]acetic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC(=CC=C3)OCCCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC(=CC=C3)OCCCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H25NO4/c1-19-16-24-21(18-26(29)30)11-6-14-25(24)28(19)27(31)22-12-5-13-23(17-22)32-15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,16-17H,7,10,15,18H2,1H3,(H,29,30)