dodecyl 3-[(3-azanyl-2-methyl-3-oxidanylidene-propanoyl)amino]-4-chloranyl-benzoate

Systemtic Name: dodecyl 3-[(3-azanyl-2-methyl-3-oxidanylidene-propanoyl)amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3-[(3-amino-2-methyl-3-oxo-propanoyl)amino]-4-chloro-benzoate CAS Name: 3-[(3-amino-2-methyl-1,3-dioxopropyl)amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[(3-amino-2-methyl-3-oxopropanoyl)amino]-4-chlorobenzoate Traditional Name: 3-[(3-amino-3-keto-2-methyl-propanoyl)amino]-4-chloro-benzoic acid lauryl ester Formula: C23H35ClN2O4 MolecularWeight: 438.988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)C(=O)N

InChI

InChI=1S/C23H35ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-15-30-23(29)18-13-14-19(24)20(16-18)26-22(28)17(2)21(25)27/h13-14,16-17H,3-12,15H2,1-2H3,(H2,25,27)(H,26,28)