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

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]-ethanoyl-amino]benzoate Openeye Name: methyl 4-[N-acetyl-3-(1-adamantyl)-4-methoxy-anilino]benzoate CAS Name: 4-[N-acetyl-3-(1-adamantyl)-4-methoxyanilino]benzoic acid methyl ester IUPAC Name: methyl 4-[N-acetyl-3-(1-adamantyl)-4-methoxyanilino]benzoate Traditional Name: 4-[N-acetyl-3-(1-adamantyl)-4-methoxy-anilino]benzoic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-17(29)28(22-6-4-21(5-7-22)26(30)32-3)23-8-9-25(31-2)24(13-23)27-14-18-10-19(15-27)12-20(11-18)16-27/h4-9,13,18-20H,10-12,14-16H2,1-3H3