[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl]carbamic acid

Systemtic Name: [1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl]carbamic acid Openeye Name: [1-[(1-benzyl-3-cyano-pyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamic acid CAS Name: [1-[[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-oxomethyl]cyclohexyl]carbamic acid IUPAC Name: [1-[(1-benzyl-3-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamic acid Traditional Name: [1-[(1-benzyl-3-cyano-pyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamic acid Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)O

InChI

InChI=1S/C20H26N4O3/c21-14-19(11-12-24(15-19)13-16-7-3-1-4-8-16)22-17(25)20(23-18(26)27)9-5-2-6-10-20/h1,3-4,7-8,23H,2,5-6,9-13,15H2,(H,22,25)(H,26,27)