tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[[[butoxy(oxo)methyl]-phenethylamino]methyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoic acid tert-butyl ester Formula: C29H37NO6 MolecularWeight: 495.60718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)C=CC(=O)OC

Isomeric SMILES

CCCCOC(=O)N(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)/C=C/C(=O)OC

InChI

InChI=1S/C29H37NO6/c1-6-7-19-35-28(33)30(18-17-22-11-9-8-10-12-22)21-25-14-13-24(27(32)36-29(2,3)4)20-23(25)15-16-26(31)34-5/h8-16,20H,6-7,17-19,21H2,1-5H3/b16-15+