3-[7-[4-(2-azanylethoxy)phenyl]-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-[4-(2-azanylethoxy)phenyl]-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid Openeye Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid CAS Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid Traditional Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl]propionic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OCCN)C(=O)N1CCC(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OCCN)C(=O)N1CCC(=O)O

InChI

InChI=1S/C20H22N2O5/c21-8-11-26-16-4-1-14(2-5-16)15-3-6-18-17(13-15)20(25)22(10-12-27-18)9-7-19(23)24/h1-6,13H,7-12,21H2,(H,23,24)