ethyl 2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoate

Systemtic Name: ethyl 2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoate Openeye Name: ethyl 2-[3-(3-carbamimidoylphenyl)phenyl]-5-(4-pyridylamino)pentanoate CAS Name: 2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoate Traditional Name: 2-[3-(3-amidinophenyl)phenyl]-5-(4-pyridylamino)valeric acid ethyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCNC1=CC=NC=C1)C2=CC=CC(=C2)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C(CCCNC1=CC=NC=C1)C2=CC=CC(=C2)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C25H28N4O2/c1-2-31-25(30)23(10-5-13-29-22-11-14-28-15-12-22)20-8-3-6-18(16-20)19-7-4-9-21(17-19)24(26)27/h3-4,6-9,11-12,14-17,23H,2,5,10,13H2,1H3,(H3,26,27)(H,28,29)