azanyl 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-cyano-phenyl]propanoate

Systemtic Name: azanyl 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-cyano-phenyl]propanoate Openeye Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-cyano-phenyl]propanoate CAS Name: 3-[2-[5-(4-carbamimidoylphenyl)-1-oxopentyl]-3-cyanophenyl]propanoic acid amino ester IUPAC Name: amino 3-[2-[5-(4-carbamimidoylphenyl)pentanoyl]-3-cyanophenyl]propanoate Traditional Name: 3-[2-[5-(4-amidinophenyl)pentanoyl]-3-cyano-phenyl]propionic acid amino ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCC(=O)ON)C(=O)CCCCC2=CC=C(C=C2)C(=N)N)C#N

Isomeric SMILES

C1=CC(=C(C(=C1)CCC(=O)ON)C(=O)CCCCC2=CC=C(C=C2)C(=N)N)C#N

InChI

InChI=1S/C22H24N4O3/c23-14-18-6-3-5-16(12-13-20(28)29-26)21(18)19(27)7-2-1-4-15-8-10-17(11-9-15)22(24)25/h3,5-6,8-11H,1-2,4,7,12-13,26H2,(H3,24,25)