(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl) 4-azanylbenzoate

Systemtic Name: (3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl) 4-azanylbenzoate Openeye Name: (7-hydroxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl) 4-aminobenzoate CAS Name: 4-aminobenzoic acid (7-hydroxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl) ester IUPAC Name: (7-hydroxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl) 4-aminobenzoate Traditional Name: 4-aminobenzoic acid (7-hydroxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl) ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)O)OC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)O)OC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H21NO4/c1-10-8-14(15(20)17(2,3)9-13(10)19)22-16(21)11-4-6-12(18)7-5-11/h4-8,14-15,20H,9,18H2,1-3H3