2-[2-methyl-1-(4-prop-2-ynoxyphenyl)carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-(4-prop-2-ynoxyphenyl)carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(4-prop-2-ynoxybenzoyl)indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-(4-prop-2-ynoxyphenyl)methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-prop-2-ynoxybenzoyl)indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-(4-propargyloxybenzoyl)indol-4-yl]acetic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC#C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC#C)CC(=O)O

InChI

InChI=1S/C21H17NO4/c1-3-11-26-17-9-7-15(8-10-17)21(25)22-14(2)12-18-16(13-20(23)24)5-4-6-19(18)22/h1,4-10,12H,11,13H2,2H3,(H,23,24)