2-azanyl-3-[4-(4-azanyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)oxy-3,5-di(butan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-azanyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)oxy-3,5-di(butan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-amino-4-hydroxy-cyclohexa-2,5-dien-1-yl)oxy-3,5-disec-butyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(4-amino-4-hydroxy-1-cyclohexa-2,5-dienyl)oxy]-3,5-di(butan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-yl)oxy-3,5-di(butan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-amino-4-hydroxy-cyclohexa-2,5-dien-1-yl)oxy-3,5-disec-butyl-phenyl]propionic acid Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC2C=CC(C=C2)(N)O)C(C)CC)CC(C(=O)O)N

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC2C=CC(C=C2)(N)O)C(C)CC)CC(C(=O)O)N

InChI

InChI=1S/C23H34N2O4/c1-5-14(3)18-11-16(13-20(24)22(26)27)12-19(15(4)6-2)21(18)29-17-7-9-23(25,28)10-8-17/h7-12,14-15,17,20,28H,5-6,13,24-25H2,1-4H3,(H,26,27)