methyl 3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl 3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: methyl 4-(benzylamino)-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-oxo-butanoate CAS Name: 3-[cyclohexyl-[(cyclohexylamino)-oxomethyl]amino]-4-oxo-4-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-oxobutanoate Traditional Name: 4-(benzylamino)-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-keto-butyric acid methyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NCC1=CC=CC=C1)N(C2CCCCC2)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)CC(C(=O)NCC1=CC=CC=C1)N(C2CCCCC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H37N3O4/c1-32-23(29)17-22(24(30)26-18-19-11-5-2-6-12-19)28(21-15-9-4-10-16-21)25(31)27-20-13-7-3-8-14-20/h2,5-6,11-12,20-22H,3-4,7-10,13-18H2,1H3,(H,26,30)(H,27,31)