ethyl 1-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl]nipecotic acid ethyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=C(C=C2)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C21H31N3O3/c1-3-27-21(26)17-7-6-10-23(14-17)15-20(25)22-19-9-8-18(13-16(19)2)24-11-4-5-12-24/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3,(H,22,25)