[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C25H26N2O3/c1-25(2,3)27(17-19-9-5-4-6-10-19)22(28)18-30-23(29)15-14-21-12-7-11-20-13-8-16-26-24(20)21/h4-16H,17-18H2,1-3H3/b15-14+