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

Systemtic Name: ethyl 3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]carbonyl-methyl-amino]propanoate Openeye Name: ethyl 3-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-benzoyl]-methyl-amino]propanoate CAS Name: 3-[[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methylphenyl]-oxomethyl]-methylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methylbenzoyl]-methylamino]propanoate Traditional Name: 3-[[4-[3-(4-amidinoanilino)prop-1-ynyl]-2-methyl-benzoyl]-methyl-amino]propionic acid ethyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C)C(=O)C1=C(C=C(C=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C)C(=O)C1=C(C=C(C=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C

InChI

InChI=1S/C24H28N4O3/c1-4-31-22(29)13-15-28(3)24(30)21-12-7-18(16-17(21)2)6-5-14-27-20-10-8-19(9-11-20)23(25)26/h7-12,16,27H,4,13-15H2,1-3H3,(H3,25,26)