ethyl 4-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[3-(3-chloro-4-methyl-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(3-chloro-4-methylphenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(3-chloro-4-methyl-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H32ClN3O4 MolecularWeight: 437.96018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C22H32ClN3O4/c1-3-30-22(29)26-13-10-18(11-14-26)25-21(28)5-4-12-24-20(27)9-8-17-7-6-16(2)19(23)15-17/h6-7,15,18H,3-5,8-14H2,1-2H3,(H,24,27)(H,25,28)