2-[1-(4-hex-5-ynoxyphenyl)carbonyl-2-methyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(4-hex-5-ynoxyphenyl)carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-(4-hex-5-ynoxybenzoyl)-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[(4-hex-5-ynoxyphenyl)-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-(4-hex-5-ynoxybenzoyl)-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-(4-hex-5-ynoxybenzoyl)-2-methyl-indol-4-yl]acetic acid Formula: C24H23NO4 MolecularWeight: 389.44372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4/c1-3-4-5-6-14-29-20-12-10-18(11-13-20)24(28)25-17(2)15-21-19(16-23(26)27)8-7-9-22(21)25/h1,7-13,15H,4-6,14,16H2,2H3,(H,26,27)