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

Systemtic Name: 3-[4-[[7-methoxy-6-(4-piperidin-1-ylbutyl)quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Openeye Name: 3-[4-[[7-methoxy-6-[4-(1-piperidyl)butyl]quinazolin-4-yl]amino]benzothiophen-2-yl]propanoic acid CAS Name: 3-[4-[[7-methoxy-6-[4-(1-piperidinyl)butyl]-4-quinazolinyl]amino]-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 3-[4-[[7-methoxy-6-(4-piperidin-1-ylbutyl)quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Traditional Name: 3-[4-[[7-methoxy-6-(4-piperidinobutyl)quinazolin-4-yl]amino]benzothiophen-2-yl]propionic acid Formula: C29H34N4O3S MolecularWeight: 518.67026

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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)CCCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C4C=C(SC4=CC=C3)CCC(=O)O)CCCCN5CCCCC5

InChI

InChI=1S/C29H34N4O3S/c1-36-26-18-25-23(16-20(26)8-3-6-15-33-13-4-2-5-14-33)29(31-19-30-25)32-24-9-7-10-27-22(24)17-21(37-27)11-12-28(34)35/h7,9-10,16-19H,2-6,8,11-15H2,1H3,(H,34,35)(H,30,31,32)