3-[4-[4-[(E)-diazanylidenemethyl]phenyl]butylcarbamoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-[4-[(E)-diazanylidenemethyl]phenyl]butylcarbamoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[4-[(E)-hydrazinylidenemethyl]phenyl]butylcarbamoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[(E)-hydrazinylidenemethyl]phenyl]butylamino]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[4-[(E)-hydrazinylidenemethyl]phenyl]butylcarbamoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[4-[4-[(E)-hydrazonomethyl]phenyl]butylcarbamoylamino]-3-(3-pyridyl)propionic acid Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)NCCCCC2=CC=C(C=C2)C=NN

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)NCCCCC2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C20H25N5O3/c21-24-13-16-8-6-15(7-9-16)4-1-2-11-23-20(28)25-18(12-19(26)27)17-5-3-10-22-14-17/h3,5-10,13-14,18H,1-2,4,11-12,21H2,(H,26,27)(H2,23,25,28)/b24-13+