tert-butyl 2-(2-chloranylquinolin-3-yl)-5-[(3-methoxypyrrolidin-1-yl)methoxy]indole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-chloranylquinolin-3-yl)-5-[(3-methoxypyrrolidin-1-yl)methoxy]indole-1-carboxylate Openeye Name: tert-butyl 2-(2-chloro-3-quinolyl)-5-[(3-methoxypyrrolidin-1-yl)methoxy]indole-1-carboxylate CAS Name: 2-(2-chloro-3-quinolinyl)-5-[(3-methoxy-1-pyrrolidinyl)methoxy]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloroquinolin-3-yl)-5-[(3-methoxypyrrolidin-1-yl)methoxy]indole-1-carboxylate Traditional Name: 2-(2-chloro-3-quinolyl)-5-[(3-methoxypyrrolidino)methoxy]indole-1-carboxylic acid tert-butyl ester Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCN3CCC(C3)OC)C=C1C4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCN3CCC(C3)OC)C=C1C4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C28H30ClN3O4/c1-28(2,3)36-27(33)32-24-10-9-20(35-17-31-12-11-21(16-31)34-4)13-19(24)15-25(32)22-14-18-7-5-6-8-23(18)30-26(22)29/h5-10,13-15,21H,11-12,16-17H2,1-4H3