methyl 2-(1-adamantyl)-4-[6-(morpholin-4-ylcarbamoyl)naphthalen-2-yl]benzoate

Systemtic Name: methyl 2-(1-adamantyl)-4-[6-(morpholin-4-ylcarbamoyl)naphthalen-2-yl]benzoate Openeye Name: methyl 2-(1-adamantyl)-4-[6-(morpholinocarbamoyl)-2-naphthyl]benzoate CAS Name: 2-(1-adamantyl)-4-[6-[(4-morpholinylamino)-oxomethyl]-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 2-(1-adamantyl)-4-[6-(morpholin-4-ylcarbamoyl)naphthalen-2-yl]benzoate Traditional Name: 2-(1-adamantyl)-4-[6-(morpholinocarbamoyl)-2-naphthyl]benzoic acid methyl ester Formula: C33H36N2O4 MolecularWeight: 524.64994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NN4CCOCC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NN4CCOCC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H36N2O4/c1-38-32(37)29-7-6-27(17-30(29)33-18-21-12-22(19-33)14-23(13-21)20-33)25-2-3-26-16-28(5-4-24(26)15-25)31(36)34-35-8-10-39-11-9-35/h2-7,15-17,21-23H,8-14,18-20H2,1H3,(H,34,36)