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

Systemtic Name: 3-[7-[4-(2-azanylethoxy)phenyl]-2-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid Openeye Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid CAS Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid Traditional Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-keto-2-methyl-2,3-dihydro-1,4-benzoxazepin-4-yl]propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C2=C(O1)C=CC(=C2)C3=CC=C(C=C3)OCCN)CCC(=O)O

Isomeric SMILES

CC1CN(C(=O)C2=C(O1)C=CC(=C2)C3=CC=C(C=C3)OCCN)CCC(=O)O

InChI

InChI=1S/C21H24N2O5/c1-14-13-23(10-8-20(24)25)21(26)18-12-16(4-7-19(18)28-14)15-2-5-17(6-3-15)27-11-9-22/h2-7,12,14H,8-11,13,22H2,1H3,(H,24,25)