[1-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: [1-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: [1-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-benzylpiperazine-1-carboxylate CAS Name: 4-(phenylmethyl)-1-piperazinecarboxylic acid [1-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [1-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-benzylpiperazine-1-carboxylate Traditional Name: 4-benzylpiperazine-1-carboxylic acid [1-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C38H63N3O3 MolecularWeight: 609.92512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1(CCC=CC1)COC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1(CCC=CC1)COC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C38H63N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-39-36(42)38(26-21-18-22-27-38)34-44-37(43)41-31-29-40(30-32-41)33-35-24-19-17-20-25-35/h17-21,24-25H,2-16,22-23,26-34H2,1H3,(H,39,42)