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

Systemtic Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-benzyl-N-[(6-methyl-4-oxo-chromen-3-yl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-butylamino]-N-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-benzyl-N-[(4-keto-6-methyl-chromen-3-yl)methyl]acetamide Formula: C35H43N3O4 MolecularWeight: 569.73362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=COC3=C(C2=O)C=C(C=C3)C)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=COC3=C(C2=O)C=C(C=C3)C)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H43N3O4/c1-3-4-12-37(34(41)36-35-17-26-14-27(18-35)16-28(15-26)19-35)22-32(39)38(20-25-8-6-5-7-9-25)21-29-23-42-31-11-10-24(2)13-30(31)33(29)40/h5-11,13,23,26-28H,3-4,12,14-22H2,1-2H3,(H,36,41)