2-(6-methoxynaphthalen-2-yl)-2-[[2-[methyl(phenyl)azaniumyl]phenyl]methyl]butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[2-[methyl(phenyl)azaniumyl]phenyl]methyl]butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[2-[methyl(phenyl)ammonio]phenyl]methyl]butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[2-[methyl(phenyl)ammonio]phenyl]methyl]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[2-[methyl(phenyl)azaniumyl]phenyl]methyl]butanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[2-[methyl(phenyl)ammonio]benzyl]butyrate Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1[NH+](C)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1[NH+](C)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C29H29NO3/c1-4-29(28(31)32,24-16-14-22-19-26(33-3)17-15-21(22)18-24)20-23-10-8-9-13-27(23)30(2)25-11-6-5-7-12-25/h5-19H,4,20H2,1-3H3,(H,31,32)