butan-2-yl 4-(methoxymethyl)-2-oxidanyl-6-phenylmethoxy-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: butan-2-yl 4-(methoxymethyl)-2-oxidanyl-6-phenylmethoxy-pyrido[3,4-b]indole-3-carboxylate Openeye Name: sec-butyl 6-benzyloxy-2-hydroxy-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate CAS Name: 2-hydroxy-4-(methoxymethyl)-6-phenylmethoxy-3-pyrido[3,4-b]indolecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-hydroxy-4-(methoxymethyl)-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-benzoxy-2-hydroxy-4-(methoxymethyl)-$b-carboline-3-carboxylic acid sec-butyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C2=C3C=C(C=CC3=NC2=CN1O)OCC4=CC=CC=C4)COC

Isomeric SMILES

CCC(C)OC(=O)C1=C(C2=C3C=C(C=CC3=NC2=CN1O)OCC4=CC=CC=C4)COC

InChI

InChI=1S/C25H26N2O5/c1-4-16(2)32-25(28)24-20(15-30-3)23-19-12-18(31-14-17-8-6-5-7-9-17)10-11-21(19)26-22(23)13-27(24)29/h5-13,16,29H,4,14-15H2,1-3H3