2-azanyl-2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid

Systemtic Name: 2-azanyl-2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid Openeye Name: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid CAS Name: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid IUPAC Name: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid Traditional Name: 2-amino-2-(10-keto-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propionic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)C(C)(C(=O)O)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)C(C)(C(=O)O)N

InChI

InChI=1S/C17H18N2O4/c1-9-4-5-11-12(6-9)23-8-10-7-13(17(2,18)16(21)22)19(3)14(10)15(11)20/h4-7H,8,18H2,1-3H3,(H,21,22)