methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]-aminocarbonyl-amino]benzoate

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]-aminocarbonyl-amino]benzoate Openeye Name: methyl 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxy-anilino]benzoate CAS Name: 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxyanilino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxyanilino]benzoate Traditional Name: 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxy-anilino]benzoic acid methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=CC=C(C=C2)C(=O)OC)C(=O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=CC=C(C=C2)C(=O)OC)C(=O)N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O4/c1-31-23-8-7-21(28(25(27)30)20-5-3-19(4-6-20)24(29)32-2)12-22(23)26-13-16-9-17(14-26)11-18(10-16)15-26/h3-8,12,16-18H,9-11,13-15H2,1-2H3,(H2,27,30)