2-[4-(phenylmethyl)piperazin-1-yl]ethyl N-(2-heptoxyphenyl)carbamate

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]ethyl N-(2-heptoxyphenyl)carbamate Openeye Name: 2-(4-benzylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-[4-(phenylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-benzylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(4-benzylpiperazino)ethyl ester Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H39N3O3/c1-2-3-4-5-11-21-32-26-15-10-9-14-25(26)28-27(31)33-22-20-29-16-18-30(19-17-29)23-24-12-7-6-8-13-24/h6-10,12-15H,2-5,11,16-23H2,1H3,(H,28,31)