methyl 4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[(2S)-3-(1-adamantylamino)-2-hydroxy-propoxy]-3-methoxy-benzoate CAS Name: 4-[(2S)-3-(1-adamantylamino)-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-(1-adamantylamino)-2-hydroxypropoxy]-3-methoxybenzoate Traditional Name: 4-[(2S)-3-(1-adamantylamino)-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](CNC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C22H31NO5/c1-26-20-8-17(21(25)27-2)3-4-19(20)28-13-18(24)12-23-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16,18,23-24H,5-7,9-13H2,1-2H3/t14?,15?,16?,18-,22?/m0/s1