ethyl 4-[bis(pyridin-3-ylmethyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[bis(pyridin-3-ylmethyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[bis(3-pyridylmethyl)carbamoylamino]benzoate CAS Name: 4-[[[bis(3-pyridinylmethyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[bis(pyridin-3-ylmethyl)carbamoylamino]benzoate Traditional Name: 4-[bis(3-pyridylmethyl)carbamoylamino]benzoic acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-2-29-21(27)19-7-9-20(10-8-19)25-22(28)26(15-17-5-3-11-23-13-17)16-18-6-4-12-24-14-18/h3-14H,2,15-16H2,1H3,(H,25,28)