[[(3S)-3-methyl-6-oxidanylidene-3,4-dihydro-2H-naphthalen-1-yl]amino] 4-tert-butylbenzoate

Systemtic Name: [[(3S)-3-methyl-6-oxidanylidene-3,4-dihydro-2H-naphthalen-1-yl]amino] 4-tert-butylbenzoate Openeye Name: [[(3S)-3-methyl-6-oxo-3,4-dihydro-2H-naphthalen-1-yl]amino] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [[(3S)-3-methyl-6-oxo-3,4-dihydro-2H-naphthalen-1-yl]amino] ester IUPAC Name: [[(3S)-3-methyl-6-oxo-3,4-dihydro-2H-naphthalen-1-yl]amino] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [[(3S)-6-keto-3-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=O)C=CC2=C(C1)NOC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CC2=CC(=O)C=CC2=C(C1)NOC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25NO3/c1-14-11-16-13-18(24)9-10-19(16)20(12-14)23-26-21(25)15-5-7-17(8-6-15)22(2,3)4/h5-10,13-14,23H,11-12H2,1-4H3/t14-/m0/s1