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

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

C1C(N(C(=O)C2=CC=CC=C2O1)CCC(=O)O)C3=CC=C(C=C3)OCCN

Isomeric SMILES

C1C(N(C(=O)C2=CC=CC=C2O1)CCC(=O)O)C3=CC=C(C=C3)OCCN

InChI

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