phenyl N-(3-oxidanylidenepropyl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]octadecyl]carbamate

Systemtic Name: phenyl N-(3-oxidanylidenepropyl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]octadecyl]carbamate Openeye Name: phenyl N-[3-(4-benzylpiperazin-1-yl)octadecyl]-N-(3-oxopropyl)carbamate CAS Name: N-(3-oxopropyl)-N-[3-[4-(phenylmethyl)-1-piperazinyl]octadecyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3-(4-benzylpiperazin-1-yl)octadecyl]-N-(3-oxopropyl)carbamate Traditional Name: N-[3-(4-benzylpiperazino)octadecyl]-N-(3-ketopropyl)carbamic acid phenyl ester Formula: C39H61N3O3 MolecularWeight: 619.91994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCN(CCC=O)C(=O)OC1=CC=CC=C1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCN(CCC=O)C(=O)OC1=CC=CC=C1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C39H61N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-37(41-32-30-40(31-33-41)35-36-22-16-14-17-23-36)27-29-42(28-21-34-43)39(44)45-38-25-19-15-20-26-38/h14-17,19-20,22-23,25-26,34,37H,2-13,18,21,24,27-33,35H2,1H3