2-[1-adamantylmethyl-(4-methylphenyl)carbonyl-amino]ethyl 4-methylbenzoate

Systemtic Name: 2-[1-adamantylmethyl-(4-methylphenyl)carbonyl-amino]ethyl 4-methylbenzoate Openeye Name: 2-[1-adamantylmethyl-(4-methylbenzoyl)amino]ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[1-adamantylmethyl-[(4-methylphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[1-adamantylmethyl-(4-methylbenzoyl)amino]ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[1-adamantylmethyl(p-toluoyl)amino]ethyl ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCOC(=O)C2=CC=C(C=C2)C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCOC(=O)C2=CC=C(C=C2)C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H35NO3/c1-20-3-7-25(8-4-20)27(31)30(11-12-33-28(32)26-9-5-21(2)6-10-26)19-29-16-22-13-23(17-29)15-24(14-22)18-29/h3-10,22-24H,11-19H2,1-2H3