methyl 5-phenylmethoxy-1-propan-2-yl-1a,2,3,7b-tetrahydronaphtho[1,2-b]azirine-4-carboxylate

Systemtic Name: methyl 5-phenylmethoxy-1-propan-2-yl-1a,2,3,7b-tetrahydronaphtho[1,2-b]azirine-4-carboxylate Openeye Name: methyl 5-benzyloxy-1-isopropyl-1a,2,3,7b-tetrahydronaphtho[1,2-b]azirine-4-carboxylate CAS Name: 5-phenylmethoxy-1-propan-2-yl-1a,2,3,7b-tetrahydronaphtho[1,2-b]azirine-4-carboxylic acid methyl ester IUPAC Name: methyl 5-phenylmethoxy-1-propan-2-yl-1a,2,3,7b-tetrahydronaphtho[1,2-b]azirine-4-carboxylate Traditional Name: 5-benzoxy-1-isopropyl-1a,2,3,7b-tetrahydronaphth[1,2-b]azirine-4-carboxylic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2C1C3=C(CC2)C(=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)N1C2C1C3=C(CC2)C(=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H25NO3/c1-14(2)23-18-11-9-16-17(21(18)23)10-12-19(20(16)22(24)25-3)26-13-15-7-5-4-6-8-15/h4-8,10,12,14,18,21H,9,11,13H2,1-3H3