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

Systemtic Name: [1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(3-hexoxyphenyl)carbamate Openeye Name: [1-(azepan-1-ylmethyl)-2-(diethylamino)ethyl] N-(3-hexoxyphenyl)carbamate CAS Name: N-(3-hexoxyphenyl)carbamic acid [1-(1-azepanyl)-3-(diethylamino)propan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(3-hexoxyphenyl)carbamate Traditional Name: N-(3-hexoxyphenyl)carbamic acid [1-(azepan-1-ylmethyl)-2-(diethylamino)ethyl] ester Formula: C26H45N3O3 MolecularWeight: 447.6538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCCC2)CN(CC)CC

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCCC2)CN(CC)CC

InChI

InChI=1S/C26H45N3O3/c1-4-7-8-13-19-31-24-16-14-15-23(20-24)27-26(30)32-25(21-28(5-2)6-3)22-29-17-11-9-10-12-18-29/h14-16,20,25H,4-13,17-19,21-22H2,1-3H3,(H,27,30)