ethyl 4-[bis(pyridin-2-ylmethyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[bis(pyridin-2-ylmethyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[bis(2-pyridylmethyl)carbamoylamino]benzoate CAS Name: 4-[[[bis(2-pyridinylmethyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[bis(pyridin-2-ylmethyl)carbamoylamino]benzoate Traditional Name: 4-[bis(2-pyridylmethyl)carbamoylamino]benzoic acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=N2)CC3=CC=CC=N3

InChI

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