methyl 4-[(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate CAS Name: 4-[[(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C23H26N2O5/c1-5-12-25-18-11-10-17(13-19(18)30-14-23(2,3)22(25)28)24-20(26)15-6-8-16(9-7-15)21(27)29-4/h6-11,13H,5,12,14H2,1-4H3,(H,24,26)