ethyl (2R)-2-acetamido-3-[3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3-[3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]propanoate Openeye Name: ethyl (2R)-2-acetamido-3-(3-benzyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)propanoate CAS Name: (2R)-2-acetamido-3-[3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3-(3-benzyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)propanoate Traditional Name: (2R)-2-acetamido-3-(3-benzyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)propionic acid ethyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OC[NH+](C2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC2=C(C=C1)OC[NH+](C2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C22H26N2O4/c1-3-27-22(26)20(23-16(2)25)12-18-9-10-21-19(11-18)14-24(15-28-21)13-17-7-5-4-6-8-17/h4-11,20H,3,12-15H2,1-2H3,(H,23,25)/p+1/t20-/m1/s1