methyl 4-[[3,5-bis(prop-2-ynoxy)phenyl]methylcarbamoyl]-2-chloranyl-benzoate

Systemtic Name: methyl 4-[[3,5-bis(prop-2-ynoxy)phenyl]methylcarbamoyl]-2-chloranyl-benzoate Openeye Name: methyl 4-[[3,5-bis(prop-2-ynoxy)phenyl]methylcarbamoyl]-2-chloro-benzoate CAS Name: 4-[[[3,5-bis(prop-2-ynoxy)phenyl]methylamino]-oxomethyl]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-[[3,5-bis(prop-2-ynoxy)phenyl]methylcarbamoyl]-2-chlorobenzoate Traditional Name: 2-chloro-4-[(3,5-dipropargyloxybenzyl)carbamoyl]benzoic acid methyl ester Formula: C22H18ClNO5 MolecularWeight: 411.83502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC(=C2)OCC#C)OCC#C)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC(=C2)OCC#C)OCC#C)Cl

InChI

InChI=1S/C22H18ClNO5/c1-4-8-28-17-10-15(11-18(13-17)29-9-5-2)14-24-21(25)16-6-7-19(20(23)12-16)22(26)27-3/h1-2,6-7,10-13H,8-9,14H2,3H3,(H,24,25)