methyl 4-pent-1-ynyl-3-(phenylmethoxycarbonylamino)benzoate

Systemtic Name: methyl 4-pent-1-ynyl-3-(phenylmethoxycarbonylamino)benzoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-4-pent-1-ynyl-benzoate CAS Name: 4-pent-1-ynyl-3-(phenylmethoxycarbonylamino)benzoic acid methyl ester IUPAC Name: methyl 4-pent-1-ynyl-3-(phenylmethoxycarbonylamino)benzoate Traditional Name: 3-(benzyloxycarbonylamino)-4-pent-1-ynyl-benzoic acid methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC#CC1=C(C=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21NO4/c1-3-4-6-11-17-12-13-18(20(23)25-2)14-19(17)22-21(24)26-15-16-9-7-5-8-10-16/h5,7-10,12-14H,3-4,15H2,1-2H3,(H,22,24)