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

Systemtic Name: 2-[2-methyl-1-[4-(3-phenylpropoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(3-phenylpropoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-(3-phenylpropoxy)phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(3-phenylpropoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(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=C(C=C3)OCCCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

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

InChI

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