ethyl 4-[[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate CAS Name: 4-[[3-carbamimidoyl-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate Traditional Name: 4-[[3-amidino-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoic acid ethyl ester Formula: C32H34N4O3 MolecularWeight: 522.63736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC#CC2=CC(=C(C=C2)C(=O)N3CCCC3)C)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC#CC2=CC(=C(C=C2)C(=O)N3CCCC3)C)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C32H34N4O3/c1-3-39-32(38)26-14-11-25(12-15-26)22-36(28-10-6-9-27(21-28)30(33)34)19-7-8-24-13-16-29(23(2)20-24)31(37)35-17-4-5-18-35/h6,9-16,20-21H,3-5,17-19,22H2,1-2H3,(H3,33,34)