dimethyl 2-[(methoxycarbonylamino)-(2-non-1-ynylphenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(methoxycarbonylamino)-(2-non-1-ynylphenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(methoxycarbonylamino)-(2-non-1-ynylphenyl)methyl]propanedioate CAS Name: 2-[(methoxycarbonylamino)-(2-non-1-ynylphenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(methoxycarbonylamino)-(2-non-1-ynylphenyl)methyl]propanedioate Traditional Name: 2-[(carbomethoxyamino)-(2-non-1-ynylphenyl)methyl]malonic acid dimethyl ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1=CC=CC=C1C(C(C(=O)OC)C(=O)OC)NC(=O)OC

Isomeric SMILES

CCCCCCCC#CC1=CC=CC=C1C(C(C(=O)OC)C(=O)OC)NC(=O)OC

InChI

InChI=1S/C23H31NO6/c1-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)20(24-23(27)30-4)19(21(25)28-2)22(26)29-3/h12-13,15-16,19-20H,5-10H2,1-4H3,(H,24,27)