(2-methoxy-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl) 4-azanylbenzoate

Systemtic Name: (2-methoxy-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl) 4-azanylbenzoate Openeye Name: (2-methoxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) 4-aminobenzoate CAS Name: 4-aminobenzoic acid (2-methoxy-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl) ester IUPAC Name: (2-methoxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 4-aminobenzoate Traditional Name: 4-aminobenzoic acid (5-keto-2-methoxy-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-11-9-15(22-4)16(18(2,3)10-14(11)20)23-17(21)12-5-7-13(19)8-6-12/h5-9,15-16H,10,19H2,1-4H3