3-phenylpropyl 5-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[3-(cyclopropanecarbonylamino)-2-methyl-anilino]-5-oxo-pentanoate CAS Name: 5-[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[3-(cyclopropanecarbonylamino)-2-methylanilino]-5-oxopentanoate Traditional Name: 5-[3-(cyclopropanecarbonylamino)-2-methyl-anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C25H30N2O4/c1-18-21(11-5-12-22(18)27-25(30)20-15-16-20)26-23(28)13-6-14-24(29)31-17-7-10-19-8-3-2-4-9-19/h2-5,8-9,11-12,20H,6-7,10,13-17H2,1H3,(H,26,28)(H,27,30)