4-[[4-(3-methylphenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(3-methylphenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(3-methylphenoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-(3-methylphenoxy)phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-(3-methylphenoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(3-methylphenoxy)benzyl]amino]butyrate Formula: C18H18NO4- MolecularWeight: 312.33982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H19NO4/c1-13-3-2-4-16(11-13)23-15-7-5-14(6-8-15)12-19-17(20)9-10-18(21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22)/p-1