2-(2-azanylethyl)-6-methyl-3-oxidanylidene-4-[(4-oxidanylidene-3,1-benzoxazin-2-yl)amino]heptanoic acid

Systemtic Name: 2-(2-azanylethyl)-6-methyl-3-oxidanylidene-4-[(4-oxidanylidene-3,1-benzoxazin-2-yl)amino]heptanoic acid Openeye Name: 2-(2-aminoethyl)-6-methyl-3-oxo-4-[(4-oxo-3,1-benzoxazin-2-yl)amino]heptanoic acid CAS Name: 2-(2-aminoethyl)-6-methyl-3-oxo-4-[(4-oxo-3,1-benzoxazin-2-yl)amino]heptanoic acid IUPAC Name: 2-(2-aminoethyl)-6-methyl-3-oxo-4-[(4-oxo-3,1-benzoxazin-2-yl)amino]heptanoic acid Traditional Name: 2-(2-aminoethyl)-3-keto-4-[(4-keto-3,1-benzoxazin-2-yl)amino]-6-methyl-enanthic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CCN)C(=O)O)NC1=NC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)CC(C(=O)C(CCN)C(=O)O)NC1=NC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C18H23N3O5/c1-10(2)9-14(15(22)12(7-8-19)16(23)24)21-18-20-13-6-4-3-5-11(13)17(25)26-18/h3-6,10,12,14H,7-9,19H2,1-2H3,(H,20,21)(H,23,24)