methyl 3-[[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]-4-chloro-benzoate CAS Name: 3-[[[1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]-4-chlorobenzoate Traditional Name: 3-[[1-(adamantane-1-carbonyl)prolyl]amino]-4-chloro-benzoic acid methyl ester Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29ClN2O4/c1-31-22(29)17-4-5-18(25)19(10-17)26-21(28)20-3-2-6-27(20)23(30)24-11-14-7-15(12-24)9-16(8-14)13-24/h4-5,10,14-16,20H,2-3,6-9,11-13H2,1H3,(H,26,28)