[3-tert-butyl-8a-oxidanyl-8-(phenethylamino)-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone

Systemtic Name: [3-tert-butyl-8a-oxidanyl-8-(phenethylamino)-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone Openeye Name: [3-tert-butyl-8a-hydroxy-8-(phenethylamino)-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone CAS Name: [3-tert-butyl-8a-hydroxy-8-(phenethylamino)-2,3-dihydro-1,4-benzoxazin-5-yl]-phenylmethanone IUPAC Name: [3-tert-butyl-8a-hydroxy-8-(phenethylamino)-2,3-dihydro-1,4-benzoxazin-5-yl]-phenylmethanone Traditional Name: [3-tert-butyl-8a-hydroxy-8-(phenethylamino)-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC2(C(=CC=C(C2=N1)C(=O)C3=CC=CC=C3)NCCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1COC2(C(=CC=C(C2=N1)C(=O)C3=CC=CC=C3)NCCC4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O3/c1-26(2,3)23-18-32-27(31)22(28-17-16-19-10-6-4-7-11-19)15-14-21(25(27)29-23)24(30)20-12-8-5-9-13-20/h4-15,23,28,31H,16-18H2,1-3H3