methyl 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoate CAS Name: 4-[[[[(2R,5S)-5-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoate Traditional Name: 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)NCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3C#N

InChI

InChI=1S/C20H25N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-10,12H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1