3-[6-methoxy-2,4-dimethyl-9-[[4-[1-(oxan-4-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]phenyl]methyl]pyrido[2,3-b]indol-3-yl]propanoic acid

Systemtic Name: 3-[6-methoxy-2,4-dimethyl-9-[[4-[1-(oxan-4-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]phenyl]methyl]pyrido[2,3-b]indol-3-yl]propanoic acid Openeye Name: 3-[9-[[4-[2-(benzylamino)-2-oxo-1-tetrahydropyran-4-yl-ethyl]phenyl]methyl]-6-methoxy-2,4-dimethyl-pyrido[2,3-b]indol-3-yl]propanoic acid CAS Name: 3-[6-methoxy-2,4-dimethyl-9-[[4-[1-(4-oxanyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]phenyl]methyl]-3-pyrido[2,3-b]indolyl]propanoic acid IUPAC Name: 3-[9-[[4-[2-(benzylamino)-1-(oxan-4-yl)-2-oxoethyl]phenyl]methyl]-6-methoxy-2,4-dimethylpyrido[2,3-b]indol-3-yl]propanoic acid Traditional Name: 3-[9-[4-[2-(benzylamino)-2-keto-1-tetrahydropyran-4-yl-ethyl]benzyl]-6-methoxy-2,4-dimethyl-pyrid[2,3-b]indol-3-yl]propionic acid Formula: C38H41N3O5 MolecularWeight: 619.74924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=C(C=CC(=C3)OC)N(C2=NC(=C1CCC(=O)O)C)CC4=CC=C(C=C4)C(C5CCOCC5)C(=O)NCC6=CC=CC=C6

Isomeric SMILES

CC1=C2C3=C(C=CC(=C3)OC)N(C2=NC(=C1CCC(=O)O)C)CC4=CC=C(C=C4)C(C5CCOCC5)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C38H41N3O5/c1-24-31(14-16-34(42)43)25(2)40-37-35(24)32-21-30(45-3)13-15-33(32)41(37)23-27-9-11-28(12-10-27)36(29-17-19-46-20-18-29)38(44)39-22-26-7-5-4-6-8-26/h4-13,15,21,29,36H,14,16-20,22-23H2,1-3H3,(H,39,44)(H,42,43)