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

Systemtic Name: 2-[1-(4-but-2-ynoxyphenyl)carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-(4-but-2-ynoxybenzoyl)-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[(4-but-2-ynoxyphenyl)-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-(4-but-2-ynoxybenzoyl)-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-(4-but-2-ynoxybenzoyl)-2-methyl-indol-4-yl]acetic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)CC(=O)O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)CC(=O)O)C

InChI

InChI=1S/C22H19NO4/c1-3-4-12-27-18-10-8-16(9-11-18)22(26)23-15(2)13-19-17(14-21(24)25)6-5-7-20(19)23/h5-11,13H,12,14H2,1-2H3,(H,24,25)