tert-butyl (E)-3-[3-methanoyl-6-[(phenylmethyl)-propan-2-yl-amino]pyridin-2-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[3-methanoyl-6-[(phenylmethyl)-propan-2-yl-amino]pyridin-2-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[6-[benzyl(isopropyl)amino]-3-formyl-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[3-formyl-6-[(phenylmethyl)-propan-2-ylamino]-2-pyridinyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[6-[benzyl(propan-2-yl)amino]-3-formylpyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-[benzyl(isopropyl)amino]-3-formyl-2-pyridyl]acrylic acid tert-butyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=NC(=C(C=C2)C=O)C=CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C2=NC(=C(C=C2)C=O)/C=C/C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O3/c1-17(2)25(15-18-9-7-6-8-10-18)21-13-11-19(16-26)20(24-21)12-14-22(27)28-23(3,4)5/h6-14,16-17H,15H2,1-5H3/b14-12+