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

Systemtic Name: 2-[[3-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)pentanoate Openeye Name: 2-[[3-[ethyl(methyl)ammonio]phenyl]methyl]-2-(6-methoxy-2-naphthyl)pentanoate CAS Name: 2-[[3-[ethyl(methyl)ammonio]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)pentanoate IUPAC Name: 2-[[3-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)pentanoate Traditional Name: 2-[3-[ethyl(methyl)ammonio]benzyl]-2-(6-methoxy-2-naphthyl)valerate Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC(=CC=C1)[NH+](C)CC)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCC(CC1=CC(=CC=C1)[NH+](C)CC)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C26H31NO3/c1-5-14-26(25(28)29,18-19-8-7-9-23(15-19)27(3)6-2)22-12-10-21-17-24(30-4)13-11-20(21)16-22/h7-13,15-17H,5-6,14,18H2,1-4H3,(H,28,29)