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

Systemtic Name: 2-[2-methyl-1-(3-propoxyphenyl)carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(3-propoxybenzoyl)indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-(3-propoxyphenyl)methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-(3-propoxybenzoyl)indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-(3-propoxybenzoyl)indol-4-yl]acetic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)N2C(=CC3=C(C=CC=C32)CC(=O)O)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N2C(=CC3=C(C=CC=C32)CC(=O)O)C

InChI

InChI=1S/C21H21NO4/c1-3-10-26-17-8-4-7-16(12-17)21(25)22-14(2)11-18-15(13-20(23)24)6-5-9-19(18)22/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24)