methyl 5-[[4-(3-oxidanylbutyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[4-(3-oxidanylbutyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[4-(3-hydroxybutyl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(3-hydroxybutyl)anilino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[4-(3-hydroxybutyl)anilino]-5-oxopentanoate Traditional Name: 5-[4-(3-hydroxybutyl)anilino]-5-keto-valeric acid methyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)NC(=O)CCCC(=O)OC)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)NC(=O)CCCC(=O)OC)O

InChI

InChI=1S/C16H23NO4/c1-12(18)6-7-13-8-10-14(11-9-13)17-15(19)4-3-5-16(20)21-2/h8-12,18H,3-7H2,1-2H3,(H,17,19)