2-[1-adamantylmethyl-[(3-phenoxyphenyl)methyl]carbamoyl]benzoic acid

Systemtic Name: 2-[1-adamantylmethyl-[(3-phenoxyphenyl)methyl]carbamoyl]benzoic acid Openeye Name: 2-[1-adamantylmethyl-[(3-phenoxyphenyl)methyl]carbamoyl]benzoic acid CAS Name: 2-[[1-adamantylmethyl-[(3-phenoxyphenyl)methyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[1-adamantylmethyl-[(3-phenoxyphenyl)methyl]carbamoyl]benzoic acid Traditional Name: 2-[1-adamantylmethyl-(3-phenoxybenzyl)carbamoyl]benzoic acid Formula: C32H33NO4 MolecularWeight: 495.60872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN(CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)C6=CC=CC=C6C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN(CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C32H33NO4/c34-30(28-11-4-5-12-29(28)31(35)36)33(21-32-17-23-13-24(18-32)15-25(14-23)19-32)20-22-7-6-10-27(16-22)37-26-8-2-1-3-9-26/h1-12,16,23-25H,13-15,17-21H2,(H,35,36)