ethyl 2-[3-[[4-[(E)-diazanylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 2-[3-[[4-[(E)-diazanylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 2-[3-[[4-[(E)-hydrazinylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-(3-pyridyl)propanoate CAS Name: 2-[[3-[[[4-[(E)-hydrazinylidenemethyl]anilino]-oxomethyl]amino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-[(E)-hydrazinylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-pyridin-3-ylpropanoate Traditional Name: 2-[3-[[4-[(E)-hydrazonomethyl]phenyl]carbamoylamino]propanoylamino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CCNC(=O)NC2=CC=C(C=C2)C=NN

Isomeric SMILES

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CCNC(=O)NC2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C21H26N6O4/c1-2-31-20(29)18(12-16-4-3-10-23-13-16)27-19(28)9-11-24-21(30)26-17-7-5-15(6-8-17)14-25-22/h3-8,10,13-14,18H,2,9,11-12,22H2,1H3,(H,27,28)(H2,24,26,30)/b25-14+