4-[[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]ammonio]methyl]benzoate Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C25H26N2O5/c1-17-3-10-21(11-4-17)27-24(28)16-32-22-12-7-19(13-23(22)31-2)15-26-14-18-5-8-20(9-6-18)25(29)30/h3-13,26H,14-16H2,1-2H3,(H,27,28)(H,29,30)