methyl 3,5-dimethyl-4-[4-[2-[(phenylmethyl)amino]ethyl]phenyl]benzoate

Systemtic Name: methyl 3,5-dimethyl-4-[4-[2-[(phenylmethyl)amino]ethyl]phenyl]benzoate Openeye Name: methyl 4-[4-[2-(benzylamino)ethyl]phenyl]-3,5-dimethyl-benzoate CAS Name: 3,5-dimethyl-4-[4-[2-[(phenylmethyl)amino]ethyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(benzylamino)ethyl]phenyl]-3,5-dimethylbenzoate Traditional Name: 4-[4-[2-(benzylamino)ethyl]phenyl]-3,5-dimethyl-benzoic acid methyl ester Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=C(C=C2)CCNCC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=C(C=C2)CCNCC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C25H27NO2/c1-18-15-23(25(27)28-3)16-19(2)24(18)22-11-9-20(10-12-22)13-14-26-17-21-7-5-4-6-8-21/h4-12,15-16,26H,13-14,17H2,1-3H3