ethyl (2S)-2-ethoxy-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-ethoxy-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoate Openeye Name: ethyl (2S)-2-ethoxy-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-ethoxy-3-[4-[2-(9-pyrido[3,4-b]indolyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-ethoxy-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoate Traditional Name: (2S)-3-[4-[2-($b-carbolin-9-yl)ethoxy]phenyl]-2-ethoxy-propionic acid ethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C4=C2C=NC=C4)C(=O)OCC

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C4=C2C=NC=C4)C(=O)OCC

InChI

InChI=1S/C26H28N2O4/c1-3-30-25(26(29)31-4-2)17-19-9-11-20(12-10-19)32-16-15-28-23-8-6-5-7-21(23)22-13-14-27-18-24(22)28/h5-14,18,25H,3-4,15-17H2,1-2H3/t25-/m0/s1