[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H22N2O4/c1-22(2,3)15-8-10-16(11-9-15)23-19(25)14-27-21(26)13-12-20-24-17-6-4-5-7-18(17)28-20/h4-13H,14H2,1-3H3,(H,23,25)/b13-12+