1-[(3-cyclopropyloxyphenyl)methyl]-3-(3-ethanoylphenyl)indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyclopropyloxyphenyl)methyl]-3-(3-ethanoylphenyl)indole-2-carboxylic acid Openeye Name: 3-(3-acetylphenyl)-1-[[3-(cyclopropoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(3-acetylphenyl)-1-[(3-cyclopropyloxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(3-acetylphenyl)-1-[(3-cyclopropyloxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(3-acetylphenyl)-1-[3-(cyclopropoxy)benzyl]indole-2-carboxylic acid Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OC5CC5)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OC5CC5)C(=O)O

InChI

InChI=1S/C27H23NO4/c1-17(29)19-7-5-8-20(15-19)25-23-10-2-3-11-24(23)28(26(25)27(30)31)16-18-6-4-9-22(14-18)32-21-12-13-21/h2-11,14-15,21H,12-13,16H2,1H3,(H,30,31)