propyl 4-[(7-methyl-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: propyl 4-[(7-methyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: propyl 4-[(7-methyl-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 4-[[(7-methyl-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(7-methyl-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 4-[(7-methyl-1-benzoxepin-4-carbonyl)amino]benzoic acid propyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C)OC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C)OC=C2

InChI

InChI=1S/C22H21NO4/c1-3-11-27-22(25)16-5-7-19(8-6-16)23-21(24)17-10-12-26-20-9-4-15(2)13-18(20)14-17/h4-10,12-14H,3,11H2,1-2H3,(H,23,24)