methyl N-[3-[[3-azanylpropyl-(3,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl]carbamate

Systemtic Name: methyl N-[3-[[3-azanylpropyl-(3,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl]carbamate Openeye Name: methyl N-[3-[[3-aminopropyl-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]carbamate CAS Name: N-[3-[[3-aminopropyl-[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[3-aminopropyl-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]carbamate Traditional Name: N-[3-[[3-aminopropyl(veratroyl)amino]methyl]phenyl]carbamic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)OC)OC

InChI

InChI=1S/C21H27N3O5/c1-27-18-9-8-16(13-19(18)28-2)20(25)24(11-5-10-22)14-15-6-4-7-17(12-15)23-21(26)29-3/h4,6-9,12-13H,5,10-11,14,22H2,1-3H3,(H,23,26)