5-[(9-azanyl-9H-xanthen-2-yl)oxy]pentanoic acid

Systemtic Name: 5-[(9-azanyl-9H-xanthen-2-yl)oxy]pentanoic acid Openeye Name: 5-[(9-amino-9H-xanthen-2-yl)oxy]pentanoic acid CAS Name: 5-[(9-amino-9H-xanthen-2-yl)oxy]pentanoic acid IUPAC Name: 5-[(9-amino-9H-xanthen-2-yl)oxy]pentanoic acid Traditional Name: 5-[(9-amino-9H-xanthen-2-yl)oxy]valeric acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)OCCCCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)OCCCCC(=O)O)N

InChI

InChI=1S/C18H19NO4/c19-18-13-5-1-2-6-15(13)23-16-9-8-12(11-14(16)18)22-10-4-3-7-17(20)21/h1-2,5-6,8-9,11,18H,3-4,7,10,19H2,(H,20,21)