2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid; 1-phenylethanamine

Systemtic Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid; 1-phenylethanamine Openeye Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid; 1-phenylethanamine CAS Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-oxomethyl]benzoic acid; 1-phenylethanamine IUPAC Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid; 1-phenylethanamine Traditional Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid; 1-phenylethylamine Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.CC1(OCC(O1)COC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N.CC1(OCC(O1)COC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C14H16O6.C8H11N/c1-14(2)19-8-9(20-14)7-18-13(17)11-6-4-3-5-10(11)12(15)16;1-7(9)8-5-3-2-4-6-8/h3-6,9H,7-8H2,1-2H3,(H,15,16);2-7H,9H2,1H3