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

Systemtic Name: ethyl (E)-3-[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[5-[3-(4-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acrylic acid ethyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/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/h7-14,18,29H,2-4,15-17H2,1H3,(H3,27,28)/b14-10+