2-[3-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[4-(dibenzylamino)-4-oxo-butyl]phenoxy]acetic acid CAS Name: 2-[3-[4-[bis(phenylmethyl)amino]-4-oxobutyl]phenoxy]acetic acid IUPAC Name: 2-[3-[4-(dibenzylamino)-4-oxobutyl]phenoxy]acetic acid Traditional Name: 2-[3-[4-(dibenzylamino)-4-keto-butyl]phenoxy]acetic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCCC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCCC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C26H27NO4/c28-25(16-8-14-21-13-7-15-24(17-21)31-20-26(29)30)27(18-22-9-3-1-4-10-22)19-23-11-5-2-6-12-23/h1-7,9-13,15,17H,8,14,16,18-20H2,(H,29,30)