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

Systemtic Name: ethyl (3S)-1-[2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-amino-4-ethyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(3-amino-4-ethylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-amino-4-ethylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(3-amino-4-ethyl-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)OCC)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)CN2CCC[C@@H](C2)C(=O)OCC)N

InChI

InChI=1S/C18H27N3O3/c1-3-13-7-8-15(10-16(13)19)20-17(22)12-21-9-5-6-14(11-21)18(23)24-4-2/h7-8,10,14H,3-6,9,11-12,19H2,1-2H3,(H,20,22)/t14-/m0/s1