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

Systemtic Name: 2-[2-methyl-1-(4-pent-3-ynoxyphenyl)carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(4-pent-3-ynoxybenzoyl)indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-(4-pent-3-ynoxyphenyl)methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-pent-3-ynoxybenzoyl)indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-(4-pent-3-ynoxybenzoyl)indol-4-yl]acetic acid Formula: C23H21NO4 MolecularWeight: 375.41714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4/c1-3-4-5-13-28-19-11-9-17(10-12-19)23(27)24-16(2)14-20-18(15-22(25)26)7-6-8-21(20)24/h6-12,14H,5,13,15H2,1-2H3,(H,25,26)