[(2S)-1-oxidanylidene-1-[[1-[(2-phenylazanylpyridin-3-yl)methyl]pyrrolidin-3-yl]amino]propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[1-[(2-phenylazanylpyridin-3-yl)methyl]pyrrolidin-3-yl]amino]propan-2-yl] ethanoate Openeye Name: [(1S)-2-[[1-[(2-anilino-3-pyridyl)methyl]pyrrolidin-3-yl]amino]-1-methyl-2-oxo-ethyl] acetate CAS Name: acetic acid [(2S)-1-[[1-[(2-anilino-3-pyridinyl)methyl]-3-pyrrolidinyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[1-[(2-anilinopyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl] acetate Traditional Name: acetic acid [(1S)-2-[[1-[(2-anilino-3-pyridyl)methyl]pyrrolidin-3-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCN(C1)CC2=C(N=CC=C2)NC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1CCN(C1)CC2=C(N=CC=C2)NC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H26N4O3/c1-15(28-16(2)26)21(27)24-19-10-12-25(14-19)13-17-7-6-11-22-20(17)23-18-8-4-3-5-9-18/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,22,23)(H,24,27)/t15-,19?/m0/s1