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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h1,6-12,14H,4-5,13,15H2,2H3,(H,25,26)