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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4/c1-3-34-26(32)23(33-2)21-17-18(12-13-19(21)25(31)30-15-6-7-16-30)9-8-14-29-22-11-5-4-10-20(22)24(27)28/h4-5,10-13,17,23,29H,3,6-7,14-16H2,1-2H3,(H3,27,28)