[4-(2-chloranylethanoylamino)-3-propanoyl-phenyl] 4-piperidin-1-ylpiperidine-1-carboxylate

Systemtic Name: [4-(2-chloranylethanoylamino)-3-propanoyl-phenyl] 4-piperidin-1-ylpiperidine-1-carboxylate Openeye Name: [4-[(2-chloroacetyl)amino]-3-propanoyl-phenyl] 4-(1-piperidyl)piperidine-1-carboxylate CAS Name: 4-(1-piperidinyl)-1-piperidinecarboxylic acid [4-[(2-chloro-1-oxoethyl)amino]-3-(1-oxopropyl)phenyl] ester IUPAC Name: [4-[(2-chloroacetyl)amino]-3-propanoylphenyl] 4-piperidin-1-ylpiperidine-1-carboxylate Traditional Name: 4-piperidinopiperidine-1-carboxylic acid [4-[(2-chloroacetyl)amino]-3-propionyl-phenyl] ester Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)OC(=O)N2CCC(CC2)N3CCCCC3)NC(=O)CCl

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)OC(=O)N2CCC(CC2)N3CCCCC3)NC(=O)CCl

InChI

InChI=1S/C22H30ClN3O4/c1-2-20(27)18-14-17(6-7-19(18)24-21(28)15-23)30-22(29)26-12-8-16(9-13-26)25-10-4-3-5-11-25/h6-7,14,16H,2-5,8-13,15H2,1H3,(H,24,28)