(3S)-1-[2-[(4-azanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(4-azanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-amino-2-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(4-amino-2-methylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-amino-2-methyl-anilino)-2-keto-ethyl]nipecotic acid Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H21N3O3/c1-10-7-12(16)4-5-13(10)17-14(19)9-18-6-2-3-11(8-18)15(20)21/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19)(H,20,21)/t11-/m0/s1