3-piperidin-1-ylpropyl 4-(butylamino)-2-propoxy-benzoate

Systemtic Name: 3-piperidin-1-ylpropyl 4-(butylamino)-2-propoxy-benzoate Openeye Name: 3-(1-piperidyl)propyl 4-(butylamino)-2-propoxy-benzoate CAS Name: 4-(butylamino)-2-propoxybenzoic acid 3-(1-piperidinyl)propyl ester IUPAC Name: 3-piperidin-1-ylpropyl 4-(butylamino)-2-propoxybenzoate Traditional Name: 4-(butylamino)-2-propoxy-benzoic acid 3-piperidinopropyl ester Formula: C22H36N2O3 MolecularWeight: 376.53284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)OCCC

Isomeric SMILES

CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)OCCC

InChI

InChI=1S/C22H36N2O3/c1-3-5-12-23-19-10-11-20(21(18-19)26-16-4-2)22(25)27-17-9-15-24-13-7-6-8-14-24/h10-11,18,23H,3-9,12-17H2,1-2H3