ethyl 2-[5-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 2-[5-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 2-[5-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-3-(3-pyridyl)propanoate CAS Name: 2-[[5-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxopentyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-3-pyridin-3-ylpropanoate Traditional Name: 2-[5-[4-[(E)-hydrazonomethyl]phenyl]pentanoylamino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CCCCC2=CC=C(C=C2)C=NN

Isomeric SMILES

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CCCCC2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C22H28N4O3/c1-2-29-22(28)20(14-19-7-5-13-24-15-19)26-21(27)8-4-3-6-17-9-11-18(12-10-17)16-25-23/h5,7,9-13,15-16,20H,2-4,6,8,14,23H2,1H3,(H,26,27)/b25-16+