tert-butyl 2-[3-[1-(3-azanylpropyl)-5-phenylmethoxy-indol-3-yl]-6-methyl-2-oxidanylidene-quinoxalin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-5-phenylmethoxy-indol-3-yl]-6-methyl-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-5-benzyloxy-indol-3-yl]-6-methyl-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-5-phenylmethoxy-3-indolyl]-6-methyl-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-6-methyl-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-5-benzoxy-indol-3-yl]-2-keto-6-methyl-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCCN)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCCN)CC(=O)OC(C)(C)C

InChI

InChI=1S/C33H36N4O4/c1-22-11-13-29-27(17-22)35-31(32(39)37(29)20-30(38)41-33(2,3)4)26-19-36(16-8-15-34)28-14-12-24(18-25(26)28)40-21-23-9-6-5-7-10-23/h5-7,9-14,17-19H,8,15-16,20-21,34H2,1-4H3