1-[2-[(5-azanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-azanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-amino-2-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(5-amino-2-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-amino-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(5-amino-2-methyl-anilino)-2-keto-ethyl]isonipecotic acid Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H21N3O3/c1-10-2-3-12(16)8-13(10)17-14(19)9-18-6-4-11(5-7-18)15(20)21/h2-3,8,11H,4-7,9,16H2,1H3,(H,17,19)(H,20,21)