ditert-butyl 2-[4-[(Z)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]propanedioate

Systemtic Name: ditert-butyl 2-[4-[(Z)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]propanedioate Openeye Name: ditert-butyl 2-[4-[(Z)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-prop-1-enyl]phenyl]propanedioate CAS Name: 2-[4-[(Z)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-[(Z)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]propanedioate Traditional Name: 2-[4-[(Z)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-prop-1-enyl]phenyl]malonic acid ditert-butyl ester Formula: C29H35NO8 MolecularWeight: 525.5901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)C=C(C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)/C=C(/C(=O)OC)\NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35NO8/c1-28(2,3)37-25(32)23(26(33)38-29(4,5)6)21-15-13-19(14-16-21)17-22(24(31)35-7)30-27(34)36-18-20-11-9-8-10-12-20/h8-17,23H,18H2,1-7H3,(H,30,34)/b22-17-