dimethyl 5-[[[3-(1-adamantylmethylcarbamoyl)naphthalen-2-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[[3-(1-adamantylmethylcarbamoyl)naphthalen-2-yl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[[3-(1-adamantylmethylcarbamoyl)naphthalene-2-carbonyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[[3-[(1-adamantylmethylamino)-oxomethyl]-2-naphthalenyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[[3-(1-adamantylmethylcarbamoyl)naphthalene-2-carbonyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[[3-(1-adamantylmethylcarbamoyl)-2-naphthoyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C42H43N3O7 MolecularWeight: 701.80672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N(CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3C(=O)NCC56CC7CC(C5)CC(C7)C6)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N(CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3C(=O)NCC56CC7CC(C5)CC(C7)C6)C(=O)OC

InChI

InChI=1S/C42H43N3O7/c1-51-39(48)32-17-33(40(49)52-2)19-34(18-32)44-41(50)45(13-12-26-8-4-3-5-9-26)38(47)36-21-31-11-7-6-10-30(31)20-35(36)37(46)43-25-42-22-27-14-28(23-42)16-29(15-27)24-42/h3-11,17-21,27-29H,12-16,22-25H2,1-2H3,(H,43,46)(H,44,50)