2-[1-(carboxymethyl)indol-3-yl]-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-2-[1-(carboxymethyl)-3-indolyl]acetic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]acetic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-2-[1-(carboxymethyl)indol-3-yl]acetic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C24H25N3O5/c1-16(28)17-6-8-18(9-7-17)25-10-12-26(13-11-25)23(24(31)32)20-14-27(15-22(29)30)21-5-3-2-4-19(20)21/h2-9,14,23H,10-13,15H2,1H3,(H,29,30)(H,31,32)