ethyl 3-[[3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-4-ethyl-phenyl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[3-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-4-ethyl-phenyl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-4-ethyl-benzoyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-4-ethylphenyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[3-(4-carbamimidoylanilino)prop-1-ynyl]-4-ethylbenzoyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[3-[3-(4-amidinoanilino)prop-1-ynyl]-4-ethyl-benzoyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N(CCC(=O)OCC)C2=CC=CC=N2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N(CCC(=O)OCC)C2=CC=CC=N2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C29H31N5O3/c1-3-21-10-11-24(20-23(21)8-7-18-32-25-14-12-22(13-15-25)28(30)31)29(36)34(19-16-27(35)37-4-2)26-9-5-6-17-33-26/h5-6,9-15,17,20,32H,3-4,16,18-19H2,1-2H3,(H3,30,31)