methyl 4-(phenylmethoxycarbonylamino)undec-2-ynoate

Systemtic Name: methyl 4-(phenylmethoxycarbonylamino)undec-2-ynoate Openeye Name: methyl 4-(benzyloxycarbonylamino)undec-2-ynoate CAS Name: 4-(phenylmethoxycarbonylamino)-2-undecynoic acid methyl ester IUPAC Name: methyl 4-(phenylmethoxycarbonylamino)undec-2-ynoate Traditional Name: 4-(benzyloxycarbonylamino)undec-2-ynoic acid methyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C#CC(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(C#CC(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H27NO4/c1-3-4-5-6-10-13-18(14-15-19(22)24-2)21-20(23)25-16-17-11-8-7-9-12-17/h7-9,11-12,18H,3-6,10,13,16H2,1-2H3,(H,21,23)