O3-tert-butyl O2-methyl (1Z)-5,6,7,8-tetrahydro-4H-3-benzazecine-2,3-dicarboxylate

Systemtic Name: O3-tert-butyl O2-methyl (1Z)-5,6,7,8-tetrahydro-4H-3-benzazecine-2,3-dicarboxylate Openeye Name: O3-tert-butyl O2-methyl (1Z)-5,6,7,8-tetrahydro-4H-3-benzazecine-2,3-dicarboxylate CAS Name: (1Z)-5,6,7,8-tetrahydro-4H-3-benzazecine-2,3-dicarboxylic acid O3-tert-butyl ester O2-methyl ester IUPAC Name: 3-O-tert-butyl 2-O-methyl (1Z)-5,6,7,8-tetrahydro-4H-3-benzazecine-2,3-dicarboxylate Traditional Name: (1Z)-5,6,7,8-tetrahydro-4H-3-benzazecine-2,3-dicarboxylic acid O3-tert-butyl ester O2-methyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCCC2=CC=CC=C2C=C1C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/1CCCCCC2=CC=CC=C2/C=C1/C(=O)OC

InChI

InChI=1S/C20H27NO4/c1-20(2,3)25-19(23)21-13-9-5-6-10-15-11-7-8-12-16(15)14-17(21)18(22)24-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/b17-14-