5-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[2-(2-methylanilino)-2-oxo-ethyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[2-(2-methylanilino)-2-oxoethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[2-keto-2-(o-toluidino)ethyl]piperazino]valeric acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CCCC(=O)O

InChI

InChI=1S/C18H25N3O4/c1-14-5-2-3-6-15(14)19-16(22)13-20-9-11-21(12-10-20)17(23)7-4-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,19,22)(H,24,25)