2-(butylcarbamoylamino)-3-[4-(diazanylmethylideneamino)-2-methoxy-3-phenyl-phenyl]propanoic acid

Systemtic Name: 2-(butylcarbamoylamino)-3-[4-(diazanylmethylideneamino)-2-methoxy-3-phenyl-phenyl]propanoic acid Openeye Name: 2-(butylcarbamoylamino)-3-[4-(hydrazinomethyleneamino)-2-methoxy-3-phenyl-phenyl]propanoic acid CAS Name: 2-[[butylamino(oxo)methyl]amino]-3-[4-(hydrazinylmethylideneamino)-2-methoxy-3-phenylphenyl]propanoic acid IUPAC Name: 2-(butylcarbamoylamino)-3-[4-(hydrazinylmethylideneamino)-2-methoxy-3-phenylphenyl]propanoic acid Traditional Name: 2-(butylcarbamoylamino)-3-[4-(hydrazinomethyleneamino)-2-methoxy-3-phenyl-phenyl]propionic acid Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CC1=C(C(=C(C=C1)N=CNN)C2=CC=CC=C2)OC)C(=O)O

Isomeric SMILES

CCCCNC(=O)NC(CC1=C(C(=C(C=C1)N=CNN)C2=CC=CC=C2)OC)C(=O)O

InChI

InChI=1S/C22H29N5O4/c1-3-4-12-24-22(30)27-18(21(28)29)13-16-10-11-17(25-14-26-23)19(20(16)31-2)15-8-6-5-7-9-15/h5-11,14,18H,3-4,12-13,23H2,1-2H3,(H,25,26)(H,28,29)(H2,24,27,30)