ethyl 6-methyl-4-(3-oxidanylidene-3-phenylmethoxy-propyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 6-methyl-4-(3-oxidanylidene-3-phenylmethoxy-propyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-(3-benzyloxy-3-oxo-propyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 6-methyl-4-(3-oxo-3-phenylmethoxypropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-oxo-3-phenylmethoxypropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(3-benzoxy-3-keto-propyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)C)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)C)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-3-26-22(25)20-14-23(18-13-16(2)9-10-19(18)28-20)12-11-21(24)27-15-17-7-5-4-6-8-17/h4-10,13,20H,3,11-12,14-15H2,1-2H3