3-[4-[[7-methoxy-6-[3-(4-methylpiperidin-1-yl)propoxy]quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid

Systemtic Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperidin-1-yl)propoxy]quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Openeye Name: 3-[4-[[7-methoxy-6-[3-(4-methyl-1-piperidyl)propoxy]quinazolin-4-yl]amino]benzothiophen-2-yl]propanoic acid CAS Name: 3-[4-[[7-methoxy-6-[3-(4-methyl-1-piperidinyl)propoxy]-4-quinazolinyl]amino]-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperidin-1-yl)propoxy]quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Traditional Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperidino)propoxy]quinazolin-4-yl]amino]benzothiophen-2-yl]propionic acid Formula: C29H34N4O4S MolecularWeight: 534.66966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C5C=C(SC5=CC=C4)CCC(=O)O)OC

Isomeric SMILES

CC1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C5C=C(SC5=CC=C4)CCC(=O)O)OC

InChI

InChI=1S/C29H34N4O4S/c1-19-9-12-33(13-10-19)11-4-14-37-26-16-22-24(17-25(26)36-2)30-18-31-29(22)32-23-5-3-6-27-21(23)15-20(38-27)7-8-28(34)35/h3,5-6,15-19H,4,7-14H2,1-2H3,(H,34,35)(H,30,31,32)