ethyl 3-[3-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3-amino-3-oxopropyl)-benzylamino]-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-[(3-amino-3-keto-propyl)-benzyl-amino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN(CCC(=O)N)CC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN(CCC(=O)N)CC2=CC=CC=C2)O

InChI

InChI=1S/C22H28N2O5/c1-2-28-22(27)18-9-6-10-20(13-18)29-16-19(25)15-24(12-11-21(23)26)14-17-7-4-3-5-8-17/h3-10,13,19,25H,2,11-12,14-16H2,1H3,(H2,23,26)