[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino] 2-methylbenzoate

Systemtic Name: [[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino] 2-methylbenzoate Openeye Name: [[3-(1-adamantyl)-4-methoxy-benzoyl]amino] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]amino] ester IUPAC Name: [[3-(1-adamantyl)-4-methoxybenzoyl]amino] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [[3-(1-adamantyl)-4-methoxy-benzoyl]amino] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)ONC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)ONC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO4/c1-16-5-3-4-6-21(16)25(29)31-27-24(28)20-7-8-23(30-2)22(12-20)26-13-17-9-18(14-26)11-19(10-17)15-26/h3-8,12,17-19H,9-11,13-15H2,1-2H3,(H,27,28)