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

Systemtic Name: methyl 4-(4-methylpent-1-ynyl)-3-(phenylmethoxycarbonylamino)benzoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-4-(4-methylpent-1-ynyl)benzoate CAS Name: 4-(4-methylpent-1-ynyl)-3-(phenylmethoxycarbonylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpent-1-ynyl)-3-(phenylmethoxycarbonylamino)benzoate Traditional Name: 3-(benzyloxycarbonylamino)-4-(4-methylpent-1-ynyl)benzoic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-16(2)8-7-11-18-12-13-19(21(24)26-3)14-20(18)23-22(25)27-15-17-9-5-4-6-10-17/h4-6,9-10,12-14,16H,8,15H2,1-3H3,(H,23,25)