ethyl 2-[(1S,4R)-4-(phenylmethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[(1S,4R)-4-(phenylmethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]ethanoate Openeye Name: ethyl 2-[(1S,4R)-4-benzyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate CAS Name: 2-[(1S,4R)-4-(phenylmethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,4R)-4-benzyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate Traditional Name: 2-[(1S,4R)-4-benzyl-1,3,4,9-tetrahydropyran[3,4-b]indol-1-yl]acetic acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=C(C(CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2

Isomeric SMILES

CCOC(=O)C[C@H]1C2=C([C@H](CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2

InChI

InChI=1S/C22H23NO3/c1-2-25-20(24)13-19-22-21(17-10-6-7-11-18(17)23-22)16(14-26-19)12-15-8-4-3-5-9-15/h3-11,16,19,23H,2,12-14H2,1H3/t16-,19-/m0/s1