2-[4-(1H-indol-5-ylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoic acid

Systemtic Name: 2-[4-(1H-indol-5-ylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoic acid Openeye Name: 2-[4-(1H-indol-5-ylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enoic acid CAS Name: 2-[4-(1H-indol-5-ylamino)-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenoic acid IUPAC Name: 2-[4-(1H-indol-5-ylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoic acid Traditional Name: 2-[4-(1H-indol-5-ylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl]acrylic acid Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OCCCN5CCOCC5)C(=O)O

Isomeric SMILES

C=C(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OCCCN5CCOCC5)C(=O)O

InChI

InChI=1S/C26H27N5O4/c1-17(26(32)33)20-14-21-23(15-24(20)35-10-2-7-31-8-11-34-12-9-31)28-16-29-25(21)30-19-3-4-22-18(13-19)5-6-27-22/h3-6,13-16,27H,1-2,7-12H2,(H,32,33)(H,28,29,30)