2-[(2S)-7-methyl-3-oxidanylidene-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-[2-(1-piperidyl)ethyl]-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-[2-(1-piperidinyl)ethyl]-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(2-piperidinoethyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CCN3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CCN3CCCCC3

InChI

InChI=1S/C18H24N2O4/c1-13-5-6-14-15(11-13)24-16(12-17(21)22)18(23)20(14)10-9-19-7-3-2-4-8-19/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,21,22)/t16-/m0/s1