2-[7-chloranyl-5-(3-ethoxy-2-methoxy-phenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-5-(3-ethoxy-2-methoxy-phenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(3-ethoxy-2-methoxy-phenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(3-ethoxy-2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(3-ethoxy-2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(3-ethoxy-2-methoxy-phenyl)-2-keto-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO6/c1-4-11-25-17-10-9-14(24)12-16(17)21(31-19(23(25)28)13-20(26)27)15-7-6-8-18(30-5-2)22(15)29-3/h6-10,12,19,21H,4-5,11,13H2,1-3H3,(H,26,27)