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

Systemtic Name: 3-[7-[4-(2-azanylethoxy)phenyl]-2-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid Openeye Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid CAS Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid IUPAC Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid Traditional Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-keto-2-methyl-2,3-dihydro-1,4-benzoxazepin-4-yl]butyric acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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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)C(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-14(11-21(25)26)24-13-15(2)29-20-8-5-17(12-19(20)22(24)27)16-3-6-18(7-4-16)28-10-9-23/h3-8,12,14-15H,9-11,13,23H2,1-2H3,(H,25,26)