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

Systemtic Name: 2-[(2S)-7-methyl-4-(naphthalen-1-ylmethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-4-(1-naphthylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-4-(1-naphthalenylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-4-(naphthalen-1-ylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(1-naphthylmethyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19NO4/c1-14-9-10-18-19(11-14)27-20(12-21(24)25)22(26)23(18)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,20H,12-13H2,1H3,(H,24,25)/t20-/m0/s1