12-chloranyldodecan-5-yl 3-oxidanylidene-3-phenylazanyl-propanoate

Systemtic Name: 12-chloranyldodecan-5-yl 3-oxidanylidene-3-phenylazanyl-propanoate Openeye Name: (1-butyl-8-chloro-octyl) 3-anilino-3-oxo-propanoate CAS Name: 3-anilino-3-oxopropanoic acid 12-chlorododecan-5-yl ester IUPAC Name: 12-chlorododecan-5-yl 3-anilino-3-oxopropanoate Traditional Name: 3-anilino-3-keto-propionic acid (1-butyl-8-chloro-octyl) ester Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCl)OC(=O)CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCC(CCCCCCCCl)OC(=O)CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C21H32ClNO3/c1-2-3-14-19(15-10-5-4-6-11-16-22)26-21(25)17-20(24)23-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3,(H,23,24)