2-[[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]amino]-3-[4-[4-oxidanylidene-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propanoic acid

Systemtic Name: 2-[[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]amino]-3-[4-[4-oxidanylidene-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propanoic acid Openeye Name: 2-[(5,7-dichloro-1,3-benzoxazol-2-yl)amino]-3-[4-[4-oxo-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propanoic acid CAS Name: 2-[(5,7-dichloro-1,3-benzoxazol-2-yl)amino]-3-[4-[4-oxo-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propanoic acid IUPAC Name: 2-[(5,7-dichloro-1,3-benzoxazol-2-yl)amino]-3-[4-[4-oxo-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propanoic acid Traditional Name: 2-[(5,7-dichloro-1,3-benzoxazol-2-yl)amino]-3-[4-[4-keto-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propionic acid Formula: C24H25Cl2N5O5 MolecularWeight: 534.3918

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC(=O)CCCOC2=CC=C(C=C2)CC(C(=O)O)NC3=NC4=CC(=CC(=C4O3)Cl)Cl

Isomeric SMILES

C1CNC(=NC1)NC(=O)CCCOC2=CC=C(C=C2)CC(C(=O)O)NC3=NC4=CC(=CC(=C4O3)Cl)Cl

InChI

InChI=1S/C24H25Cl2N5O5/c25-15-12-17(26)21-18(13-15)29-24(36-21)30-19(22(33)34)11-14-4-6-16(7-5-14)35-10-1-3-20(32)31-23-27-8-2-9-28-23/h4-7,12-13,19H,1-3,8-11H2,(H,29,30)(H,33,34)(H2,27,28,31,32)