3-azanyl-1-[2-(8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanyl-1-[2-(8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Openeye Name: 3-amino-1-[2-(8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid CAS Name: 3-amino-1-[2-(8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid IUPAC Name: 3-amino-1-[2-(8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Traditional Name: 3-amino-1-[2-(8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-keto-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H31N3O5/c1-6-33-22-12-15-16(11-17(22)25(31)32)24(27)28-19(15)13-21(30)14-9-18(26(2,3)4)23-20(10-14)29(5)7-8-34-23/h9-12,19H,6-8,13H2,1-5H3,(H2,27,28)(H,31,32)