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

Systemtic Name: ethyl 2-[[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]methoxy]ethanoate Openeye Name: ethyl 2-[[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]methoxy]acetate CAS Name: 2-[[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]methoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]methoxy]acetate Traditional Name: 2-[5-[3-(4-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)benzyl]oxyacetic acid ethyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COCC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)COCC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C26H30N4O4/c1-2-34-24(31)18-33-17-21-16-19(7-12-23(21)26(32)30-14-3-4-15-30)6-5-13-29-22-10-8-20(9-11-22)25(27)28/h7-12,16,29H,2-4,13-15,17-18H2,1H3,(H3,27,28)