[1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(3-heptoxyphenyl)carbamate

Systemtic Name: [1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(3-heptoxyphenyl)carbamate Openeye Name: [1-(azepan-1-ylmethyl)-2-(diethylamino)ethyl] N-(3-heptoxyphenyl)carbamate CAS Name: N-(3-heptoxyphenyl)carbamic acid [1-(1-azepanyl)-3-(diethylamino)propan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(3-heptoxyphenyl)carbamate Traditional Name: N-(3-heptoxyphenyl)carbamic acid [1-(azepan-1-ylmethyl)-2-(diethylamino)ethyl] ester Formula: C27H47N3O3 MolecularWeight: 461.68038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCCC2)CN(CC)CC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCCC2)CN(CC)CC

InChI

InChI=1S/C27H47N3O3/c1-4-7-8-11-14-20-32-25-17-15-16-24(21-25)28-27(31)33-26(22-29(5-2)6-3)23-30-18-12-9-10-13-19-30/h15-17,21,26H,4-14,18-20,22-23H2,1-3H3,(H,28,31)