2-[7-[4-(dimethylamino)butoxy]-4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enoic acid

Systemtic Name: 2-[7-[4-(dimethylamino)butoxy]-4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enoic acid Openeye Name: 2-[7-[4-(dimethylamino)butoxy]-4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enoic acid CAS Name: 2-[7-[4-(dimethylamino)butoxy]-4-(1H-indol-5-ylamino)-6-quinazolinyl]-2-propenoic acid IUPAC Name: 2-[7-[4-(dimethylamino)butoxy]-4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enoic acid Traditional Name: 2-[7-[4-(dimethylamino)butoxy]-4-(1H-indol-5-ylamino)quinazolin-6-yl]acrylic acid Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC4=C(C=C3)NC=C4)C(=C)C(=O)O

Isomeric SMILES

CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC4=C(C=C3)NC=C4)C(=C)C(=O)O

InChI

InChI=1S/C25H27N5O3/c1-16(25(31)32)19-13-20-22(14-23(19)33-11-5-4-10-30(2)3)27-15-28-24(20)29-18-6-7-21-17(12-18)8-9-26-21/h6-9,12-15,26H,1,4-5,10-11H2,2-3H3,(H,31,32)(H,27,28,29)