4-[4,4-bis(2-methylphenyl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one

Systemtic Name: 4-[4,4-bis(2-methylphenyl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one Openeye Name: 4-[4,4-bis(o-tolyl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one CAS Name: 4-[4,4-bis(2-methylphenyl)but-3-enyl-methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one IUPAC Name: 4-[4,4-bis(2-methylphenyl)but-3-enyl-methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one Traditional Name: 4-[4,4-bis(o-tolyl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydroindoxazen-3-one Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CCCN(C)C2CCCC3=C2C(=O)NO3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C(=CCCN(C)C2CCCC3=C2C(=O)NO3)C4=CC=CC=C4C

InChI

InChI=1S/C26H30N2O2/c1-18-10-4-6-12-20(18)22(21-13-7-5-11-19(21)2)14-9-17-28(3)23-15-8-16-24-25(23)26(29)27-30-24/h4-7,10-14,23H,8-9,15-17H2,1-3H3,(H,27,29)