3-phenylpropyl 5-[(3-chloranyl-4-methoxy-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-chloranyl-4-methoxy-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(3-chloro-4-methoxy-anilino)-5-oxo-pentanoate CAS Name: 5-(3-chloro-4-methoxyanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(3-chloro-4-methoxyanilino)-5-oxopentanoate Traditional Name: 5-(3-chloro-4-methoxy-anilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H24ClNO4/c1-26-19-13-12-17(15-18(19)22)23-20(24)10-5-11-21(25)27-14-6-9-16-7-3-2-4-8-16/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H,23,24)