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methyl 1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylpyrrolidine-2-carboxylate

methyl 1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name:methyl 1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylpyrrolidine-2-carboxylate
Openeye Name:methyl 1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]pyrrolidine-2-carboxylate
CAS Name:1-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester
IUPAC Name:methyl 1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]pyrrolidine-2-carboxylate
Traditional Name:1-[4-[3-(4-amidinoanilino)prop-1-ynyl]benzoyl]pyrrolidine-2-carboxylic acid methyl ester
Formula: C23H24N4O3
MolecularWeight: 404.46166
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N


Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N


InChI

InChI=1S/C23H24N4O3/c1-30-23(29)20-5-3-15-27(20)22(28)18-8-6-16(7-9-18)4-2-14-26-19-12-10-17(11-13-19)21(24)25/h6-13,20,26H,3,5,14-15H2,1H3,(H3,24,25)


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