methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-oxidanylidene-3-(1H-pyridin-4-ylidenemethylimino)cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-oxidanylidene-3-(1H-pyridin-4-ylidenemethylimino)cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[4-oxo-3-(1H-pyridin-4-ylidenemethylimino)cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-oxo-3-(1H-pyridin-4-ylidenemethylimino)-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-oxo-3-(1H-pyridin-4-ylidenemethylimino)cyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-keto-3-(1H-pyridin-4-ylidenemethylimino)cyclohexa-1,5-dien-1-yl]propionic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=NC=C2C=CNC=C2)C(=O)C=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=NC=C2C=CNC=C2)C(=O)C=C1)C(=O)OC

InChI

InChI=1S/C21H25N3O5/c1-21(2,3)29-20(27)24-17(19(26)28-4)12-15-5-6-18(25)16(11-15)23-13-14-7-9-22-10-8-14/h5-11,13,17,22H,12H2,1-4H3,(H,24,27)