ethyl 4-[[4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-4-oxo-butanoate CAS Name: 4-[4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-4-oxobutanoate Traditional Name: 4-[4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-4-keto-butyric acid ethyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1CCCC1)C2=C(C=C(C=C2)C#CCN(C)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1CCCC1)C2=C(C=C(C=C2)C#CCN(C)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C29H33N3O3/c1-4-35-29(34)17-16-28(33)32(25-11-5-6-12-25)27-15-14-23(19-22(27)2)10-8-18-31(3)26-13-7-9-24(20-26)21-30/h7,9,13-15,19-20,25H,4-6,11-12,16-18H2,1-3H3