cyclohex-3-en-1-ylmethyl 2-(octadecylcarbamoyl)-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: cyclohex-3-en-1-ylmethyl 2-(octadecylcarbamoyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: cyclohex-3-en-1-ylmethyl 4-benzyl-2-(octadecylcarbamoyl)piperazine-1-carboxylate CAS Name: 2-[(octadecylamino)-oxomethyl]-4-(phenylmethyl)-1-piperazinecarboxylic acid 1-cyclohex-3-enylmethyl ester IUPAC Name: cyclohex-3-en-1-ylmethyl 4-benzyl-2-(octadecylcarbamoyl)piperazine-1-carboxylate Traditional Name: 4-benzyl-2-(stearylcarbamoyl)piperazine-1-carboxylic acid cyclohex-3-en-1-ylmethyl ester Formula: C38H63N3O3 MolecularWeight: 609.92512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CN(CCN1C(=O)OCC2CCC=CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CN(CCN1C(=O)OCC2CCC=CC2)CC3=CC=CC=C3

InChI

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