methyl 3-[4-[1-cyclopentyl-2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-[1-cyclopentyl-2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[1-cyclopentyl-2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[1-cyclopentyl-2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-cyclopentyl-2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[1-cyclopentyl-2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]piperazino]-3-keto-propionic acid methyl ester Formula: C22H30FN3O4 MolecularWeight: 419.489703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2CCCC2)N3CCN(CC3)C(=O)CC(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2CCCC2)N3CCN(CC3)C(=O)CC(=O)OC)F

InChI

InChI=1S/C22H30FN3O4/c1-15-7-8-17(13-18(15)23)24-22(29)21(16-5-3-4-6-16)26-11-9-25(10-12-26)19(27)14-20(28)30-2/h7-8,13,16,21H,3-6,9-12,14H2,1-2H3,(H,24,29)