[4-azanyl-3-(3,4-dimethylphenyl)-3-oxidanyl-butyl] benzoate

Systemtic Name: [4-azanyl-3-(3,4-dimethylphenyl)-3-oxidanyl-butyl] benzoate Openeye Name: [4-amino-3-(3,4-dimethylphenyl)-3-hydroxy-butyl] benzoate CAS Name: benzoic acid [4-amino-3-(3,4-dimethylphenyl)-3-hydroxybutyl] ester IUPAC Name: [4-amino-3-(3,4-dimethylphenyl)-3-hydroxybutyl] benzoate Traditional Name: benzoic acid [4-amino-3-(3,4-dimethylphenyl)-3-hydroxy-butyl] ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCOC(=O)C2=CC=CC=C2)(CN)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCOC(=O)C2=CC=CC=C2)(CN)O)C

InChI

InChI=1S/C19H23NO3/c1-14-8-9-17(12-15(14)2)19(22,13-20)10-11-23-18(21)16-6-4-3-5-7-16/h3-9,12,22H,10-11,13,20H2,1-2H3