[4-chloranyl-5-(diethylamino)-2-[[3-[3-[5-(oxan-2-yloxymethyl)-1,2,3-triazol-1-yl]phenyl]-3-oxidanylidene-propanoyl]amino]phenyl]carbamic acid

Systemtic Name: [4-chloranyl-5-(diethylamino)-2-[[3-[3-[5-(oxan-2-yloxymethyl)-1,2,3-triazol-1-yl]phenyl]-3-oxidanylidene-propanoyl]amino]phenyl]carbamic acid Openeye Name: [4-chloro-5-(diethylamino)-2-[[3-oxo-3-[3-[5-(tetrahydropyran-2-yloxymethyl)triazol-1-yl]phenyl]propanoyl]amino]phenyl]carbamic acid CAS Name: [4-chloro-5-(diethylamino)-2-[[3-[3-[5-(2-oxanyloxymethyl)-1-triazolyl]phenyl]-1,3-dioxopropyl]amino]phenyl]carbamic acid IUPAC Name: [4-chloro-5-(diethylamino)-2-[[3-[3-[5-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]-3-oxopropanoyl]amino]phenyl]carbamic acid Traditional Name: [4-chloro-5-(diethylamino)-2-[[3-keto-3-[3-[5-(tetrahydropyran-2-yloxymethyl)triazol-1-yl]phenyl]propanoyl]amino]phenyl]carbamic acid Formula: C28H33ClN6O6 MolecularWeight: 585.05122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)NC(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)N3C(=CN=N3)COC4CCCCO4)Cl

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)NC(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)N3C(=CN=N3)COC4CCCCO4)Cl

InChI

InChI=1S/C28H33ClN6O6/c1-3-34(4-2)24-14-23(32-28(38)39)22(13-21(24)29)31-26(37)15-25(36)18-8-7-9-19(12-18)35-20(16-30-33-35)17-41-27-10-5-6-11-40-27/h7-9,12-14,16,27,32H,3-6,10-11,15,17H2,1-2H3,(H,31,37)(H,38,39)