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

Systemtic Name: 3-[4-[[7-methoxy-6-(3-pyrrol-1-ylpropoxy)quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Openeye Name: 3-[4-[[7-methoxy-6-(3-pyrrol-1-ylpropoxy)quinazolin-4-yl]amino]benzothiophen-2-yl]propanoic acid CAS Name: 3-[4-[[7-methoxy-6-[3-(1-pyrrolyl)propoxy]-4-quinazolinyl]amino]-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 3-[4-[[7-methoxy-6-(3-pyrrol-1-ylpropoxy)quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Traditional Name: 3-[4-[[7-methoxy-6-(3-pyrrol-1-ylpropoxy)quinazolin-4-yl]amino]benzothiophen-2-yl]propionic acid Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C4C=C(SC4=CC=C3)CCC(=O)O)OCCCN5C=CC=C5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C4C=C(SC4=CC=C3)CCC(=O)O)OCCCN5C=CC=C5

InChI

InChI=1S/C27H26N4O4S/c1-34-23-16-22-20(15-24(23)35-13-5-12-31-10-2-3-11-31)27(29-17-28-22)30-21-6-4-7-25-19(21)14-18(36-25)8-9-26(32)33/h2-4,6-7,10-11,14-17H,5,8-9,12-13H2,1H3,(H,32,33)(H,28,29,30)