[4-[3-chloranyl-2-(3-ethylphenyl)phenyl]-4-oxidanyl-4-(1-piperazin-1-ylcarbonylpiperidin-3-yl)butyl] N-methylcarbamate

Systemtic Name: [4-[3-chloranyl-2-(3-ethylphenyl)phenyl]-4-oxidanyl-4-(1-piperazin-1-ylcarbonylpiperidin-3-yl)butyl] N-methylcarbamate Openeye Name: [4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-4-[1-(piperazine-1-carbonyl)-3-piperidyl]butyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-4-[1-[oxo(1-piperazinyl)methyl]-3-piperidinyl]butyl] ester IUPAC Name: [4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-4-[1-(piperazine-1-carbonyl)piperidin-3-yl]butyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-4-[1-(piperazine-1-carbonyl)-3-piperidyl]butyl] ester Formula: C30H41ClN4O4 MolecularWeight: 557.12394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=C(C=CC=C2Cl)C(CCCOC(=O)NC)(C3CCCN(C3)C(=O)N4CCNCC4)O

Isomeric SMILES

CCC1=CC=CC(=C1)C2=C(C=CC=C2Cl)C(CCCOC(=O)NC)(C3CCCN(C3)C(=O)N4CCNCC4)O

InChI

InChI=1S/C30H41ClN4O4/c1-3-22-8-4-9-23(20-22)27-25(11-5-12-26(27)31)30(38,13-7-19-39-28(36)32-2)24-10-6-16-35(21-24)29(37)34-17-14-33-15-18-34/h4-5,8-9,11-12,20,24,33,38H,3,6-7,10,13-19,21H2,1-2H3,(H,32,36)