ethyl (3S)-1-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(7-methoxy-5H-pyrimid[5,4-b]indol-4-yl)nipecotic acid ethyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2NC4=C3C=CC(=C4)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC=NC3=C2NC4=C3C=CC(=C4)OC

InChI

InChI=1S/C19H22N4O3/c1-3-26-19(24)12-5-4-8-23(10-12)18-17-16(20-11-21-18)14-7-6-13(25-2)9-15(14)22-17/h6-7,9,11-12,22H,3-5,8,10H2,1-2H3/t12-/m0/s1