2-(6-methoxynaphthalen-2-yl)-2-[[3-[methyl(phenyl)azaniumyl]phenyl]methyl]pentanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[3-[methyl(phenyl)azaniumyl]phenyl]methyl]pentanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[3-[methyl(phenyl)ammonio]phenyl]methyl]pentanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[3-[methyl(phenyl)ammonio]phenyl]methyl]pentanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[3-[methyl(phenyl)azaniumyl]phenyl]methyl]pentanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[3-[methyl(phenyl)ammonio]benzyl]valerate Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C30H31NO3/c1-4-17-30(29(32)33,25-15-13-24-20-28(34-3)16-14-23(24)19-25)21-22-9-8-12-27(18-22)31(2)26-10-6-5-7-11-26/h5-16,18-20H,4,17,21H2,1-3H3,(H,32,33)