2-[1-adamantylcarbamoyl(prop-2-enyl)amino]-N-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(prop-2-enyl)amino]-N-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(allyl)amino]-N-benzyl-N-[(6-methyl-4-oxo-chromen-3-yl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-prop-2-enylamino]-N-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(prop-2-enyl)amino]-N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(allyl)amino]-N-benzyl-N-[(4-keto-6-methyl-chromen-3-yl)methyl]acetamide Formula: C34H39N3O4 MolecularWeight: 553.69116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H39N3O4/c1-3-11-36(33(40)35-34-16-25-13-26(17-34)15-27(14-25)18-34)21-31(38)37(19-24-7-5-4-6-8-24)20-28-22-41-30-10-9-23(2)12-29(30)32(28)39/h3-10,12,22,25-27H,1,11,13-21H2,2H3,(H,35,40)