2-azanyl-3-[9-(3-methylphenyl)xanthen-9-yl]oxy-butanoic acid

Systemtic Name: 2-azanyl-3-[9-(3-methylphenyl)xanthen-9-yl]oxy-butanoic acid Openeye Name: 2-amino-3-[9-(m-tolyl)xanthen-9-yl]oxy-butanoic acid CAS Name: 2-amino-3-[[9-(3-methylphenyl)-9-xanthenyl]oxy]butanoic acid IUPAC Name: 2-amino-3-[9-(3-methylphenyl)xanthen-9-yl]oxybutanoic acid Traditional Name: 2-amino-3-[9-(m-tolyl)xanthen-9-yl]oxy-butyric acid Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)OC(C)C(C(=O)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)OC(C)C(C(=O)O)N

InChI

InChI=1S/C24H23NO4/c1-15-8-7-9-17(14-15)24(29-16(2)22(25)23(26)27)18-10-3-5-12-20(18)28-21-13-6-4-11-19(21)24/h3-14,16,22H,25H2,1-2H3,(H,26,27)