4-[[1-(aminomethyl)-6-cyclohexylidene-1,5-dihydroisochromen-3-yl]methyl]-1-oxidanyl-pyrrolidin-2-ol

Systemtic Name: 4-[[1-(aminomethyl)-6-cyclohexylidene-1,5-dihydroisochromen-3-yl]methyl]-1-oxidanyl-pyrrolidin-2-ol Openeye Name: 4-[[1-(aminomethyl)-6-cyclohexylidene-1,5-dihydroisochromen-3-yl]methyl]-1-hydroxy-pyrrolidin-2-ol CAS Name: 4-[[1-(aminomethyl)-6-cyclohexylidene-1,5-dihydro-2-benzopyran-3-yl]methyl]-1-hydroxy-2-pyrrolidinol IUPAC Name: 4-[[1-(aminomethyl)-6-cyclohexylidene-1,5-dihydroisochromen-3-yl]methyl]-1-hydroxypyrrolidin-2-ol Traditional Name: 4-[[1-(aminomethyl)-6-cyclohexylidene-1,5-dihydroisochromen-3-yl]methyl]-1-hydroxy-pyrrolidin-2-ol Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2CC3=C(C=C2)C(OC(=C3)CC4CC(N(C4)O)O)CN)CC1

Isomeric SMILES

C1CCC(=C2CC3=C(C=C2)C(OC(=C3)CC4CC(N(C4)O)O)CN)CC1

InChI

InChI=1S/C21H30N2O3/c22-12-20-19-7-6-16(15-4-2-1-3-5-15)10-17(19)11-18(26-20)8-14-9-21(24)23(25)13-14/h6-7,11,14,20-21,24-25H,1-5,8-10,12-13,22H2