[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 2-(pivaloylamino)propionic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C(C)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C(C)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-14-12-16(24-10-6-7-11-24)8-9-17(14)23-18(25)13-28-19(26)15(2)22-20(27)21(3,4)5/h8-9,12,15H,6-7,10-11,13H2,1-5H3,(H,22,27)(H,23,25)