ethyl 3-[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]propanoate

Systemtic Name: ethyl 3-[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]propanoate Openeye Name: ethyl 3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]propanoate CAS Name: 3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]propanoate Traditional Name: 3-[5-[3-(4-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]propionic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C26H30N4O3/c1-2-33-24(31)14-10-21-18-19(7-13-23(21)26(32)30-16-3-4-17-30)6-5-15-29-22-11-8-20(9-12-22)25(27)28/h7-9,11-13,18,29H,2-4,10,14-17H2,1H3,(H3,27,28)