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

Systemtic Name: 2-[(2S)-4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[2-(cyclopentylamino)-2-oxo-ethyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-[2-(cyclopentylamino)-2-keto-ethyl]-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)NC3CCCC3

InChI

InChI=1S/C18H22N2O5/c1-11-6-7-13-14(8-11)25-15(9-17(22)23)18(24)20(13)10-16(21)19-12-4-2-3-5-12/h6-8,12,15H,2-5,9-10H2,1H3,(H,19,21)(H,22,23)/t15-/m0/s1