methyl 3-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-28-14-3-4-15-16(6-14)24-18(19(26)29-2)17(15)25-20(27)21-7-12-5-13(8-21)10-22(23,9-12)11-21/h3-4,6,12-13,24H,5,7-11H2,1-2H3,(H,25,27)/t12-,13+,21?,22?