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

Systemtic Name: ethyl 3-[(3-cyanophenyl)-[3-(4-cyclopentylcarbonyl-3-methyl-phenyl)prop-2-ynyl]amino]propanoate Openeye Name: ethyl 3-[3-cyano-N-[3-[4-(cyclopentanecarbonyl)-3-methyl-phenyl]prop-2-ynyl]anilino]propanoate CAS Name: 3-[3-cyano-N-[3-[4-[cyclopentyl(oxo)methyl]-3-methylphenyl]prop-2-ynyl]anilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-cyano-N-[3-[4-(cyclopentanecarbonyl)-3-methylphenyl]prop-2-ynyl]anilino]propanoate Traditional Name: 3-[3-cyano-N-[3-[4-(cyclopentanecarbonyl)-3-methyl-phenyl]prop-2-ynyl]anilino]propionic acid ethyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3/c1-3-33-27(31)15-17-30(25-12-6-8-23(19-25)20-29)16-7-9-22-13-14-26(21(2)18-22)28(32)24-10-4-5-11-24/h6,8,12-14,18-19,24H,3-5,10-11,15-17H2,1-2H3