[(2-methylpropan-2-yl)oxycarbonylamino] 2-(7-oxidanylidene-2-prop-2-enyl-2H-azepin-1-yl)ethanoate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] 2-(7-oxidanylidene-2-prop-2-enyl-2H-azepin-1-yl)ethanoate Openeye Name: (tert-butoxycarbonylamino) 2-(2-allyl-7-oxo-2H-azepin-1-yl)acetate CAS Name: 2-(7-oxo-2-prop-2-enyl-2H-azepin-1-yl)acetic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] 2-(7-oxo-2-prop-2-enyl-2H-azepin-1-yl)acetate Traditional Name: 2-(2-allyl-7-keto-2H-azepin-1-yl)acetic acid (tert-butoxycarbonylamino) ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NOC(=O)CN1C(C=CC=CC1=O)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)NOC(=O)CN1C(C=CC=CC1=O)CC=C

InChI

InChI=1S/C16H22N2O5/c1-5-8-12-9-6-7-10-13(19)18(12)11-14(20)23-17-15(21)22-16(2,3)4/h5-7,9-10,12H,1,8,11H2,2-4H3,(H,17,21)