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

Systemtic Name: [[3-(1-adamantyl)-4-hexoxy-phenyl]carbonylamino] 2-methylbenzoate Openeye Name: [[3-(1-adamantyl)-4-hexoxy-benzoyl]amino] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [[[3-(1-adamantyl)-4-hexoxyphenyl]-oxomethyl]amino] ester IUPAC Name: [[3-(1-adamantyl)-4-hexoxybenzoyl]amino] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [[3-(1-adamantyl)-4-hexoxy-benzoyl]amino] ester Formula: C31H39NO4 MolecularWeight: 489.64566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H39NO4/c1-3-4-5-8-13-35-28-12-11-25(29(33)32-36-30(34)26-10-7-6-9-21(26)2)17-27(28)31-18-22-14-23(19-31)16-24(15-22)20-31/h6-7,9-12,17,22-24H,3-5,8,13-16,18-20H2,1-2H3,(H,32,33)