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

Systemtic Name: [[3-(1-adamantyl)-4-decoxy-phenyl]carbonylamino] 2-methylbenzoate Openeye Name: [[3-(1-adamantyl)-4-decoxy-benzoyl]amino] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [[[3-(1-adamantyl)-4-decoxyphenyl]-oxomethyl]amino] ester IUPAC Name: [[3-(1-adamantyl)-4-decoxybenzoyl]amino] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [[3-(1-adamantyl)-4-decoxy-benzoyl]amino] ester Formula: C35H47NO4 MolecularWeight: 545.75198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C35H47NO4/c1-3-4-5-6-7-8-9-12-17-39-32-16-15-29(33(37)36-40-34(38)30-14-11-10-13-25(30)2)21-31(32)35-22-26-18-27(23-35)20-28(19-26)24-35/h10-11,13-16,21,26-28H,3-9,12,17-20,22-24H2,1-2H3,(H,36,37)