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

Systemtic Name: ethyl 2-[5-[3-[(2-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]ethanoate Openeye Name: ethyl 2-[5-[3-(2-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acetate CAS Name: 2-[5-[3-(2-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[3-(2-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acetate Traditional Name: 2-[5-[3-(2-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acetic acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C25H28N4O3/c1-2-32-23(30)17-19-16-18(11-12-20(19)25(31)29-14-5-6-15-29)8-7-13-28-22-10-4-3-9-21(22)24(26)27/h3-4,9-12,16,28H,2,5-6,13-15,17H2,1H3,(H3,26,27)