ethyl 3-[(3-carbamimidoylphenyl)-[3-(4-cyclopentylcarbonyl-3-methyl-phenyl)prop-2-ynyl]amino]propanoate

Systemtic Name: ethyl 3-[(3-carbamimidoylphenyl)-[3-(4-cyclopentylcarbonyl-3-methyl-phenyl)prop-2-ynyl]amino]propanoate Openeye Name: ethyl 3-[3-carbamimidoyl-N-[3-[4-(cyclopentanecarbonyl)-3-methyl-phenyl]prop-2-ynyl]anilino]propanoate CAS Name: 3-[3-carbamimidoyl-N-[3-[4-[cyclopentyl(oxo)methyl]-3-methylphenyl]prop-2-ynyl]anilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-carbamimidoyl-N-[3-[4-(cyclopentanecarbonyl)-3-methylphenyl]prop-2-ynyl]anilino]propanoate Traditional Name: 3-[3-amidino-N-[3-[4-(cyclopentanecarbonyl)-3-methyl-phenyl]prop-2-ynyl]anilino]propionic acid ethyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC#CC1=CC(=C(C=C1)C(=O)C2CCCC2)C)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCN(CC#CC1=CC(=C(C=C1)C(=O)C2CCCC2)C)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C28H33N3O3/c1-3-34-26(32)15-17-31(24-12-6-11-23(19-24)28(29)30)16-7-8-21-13-14-25(20(2)18-21)27(33)22-9-4-5-10-22/h6,11-14,18-19,22H,3-5,9-10,15-17H2,1-2H3,(H3,29,30)