[1-(2,6-dimethyl-4-oxidanyl-phenyl)-3,5,5-trimethyl-4-(3-methylbut-3-enyl)-4H-azepin-6-yl] benzoate

Systemtic Name: [1-(2,6-dimethyl-4-oxidanyl-phenyl)-3,5,5-trimethyl-4-(3-methylbut-3-enyl)-4H-azepin-6-yl] benzoate Openeye Name: [1-(4-hydroxy-2,6-dimethyl-phenyl)-3,5,5-trimethyl-4-(3-methylbut-3-enyl)-4H-azepin-6-yl] benzoate CAS Name: benzoic acid [1-(4-hydroxy-2,6-dimethylphenyl)-3,5,5-trimethyl-4-(3-methylbut-3-enyl)-4H-azepin-6-yl] ester IUPAC Name: [1-(4-hydroxy-2,6-dimethylphenyl)-3,5,5-trimethyl-4-(3-methylbut-3-enyl)-4H-azepin-6-yl] benzoate Traditional Name: benzoic acid [1-(4-hydroxy-2,6-dimethyl-phenyl)-3,5,5-trimethyl-4-(3-methylbut-3-enyl)-4H-azepin-6-yl] ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=C(C(C(C(=C2)OC(=O)C3=CC=CC=C3)(C)C)CCC(=C)C)C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1N2C=C(C(C(C(=C2)OC(=O)C3=CC=CC=C3)(C)C)CCC(=C)C)C)C)O

InChI

InChI=1S/C29H35NO3/c1-19(2)13-14-25-22(5)17-30(27-20(3)15-24(31)16-21(27)4)18-26(29(25,6)7)33-28(32)23-11-9-8-10-12-23/h8-12,15-18,25,31H,1,13-14H2,2-7H3