methyl 2-[[(S)-[5-bromanyl-2-(ethoxycarbonylamino)phenyl]-phenyl-methyl]-ethoxycarbonyl-amino]ethanoate

Systemtic Name: methyl 2-[[(S)-[5-bromanyl-2-(ethoxycarbonylamino)phenyl]-phenyl-methyl]-ethoxycarbonyl-amino]ethanoate Openeye Name: methyl 2-[[(S)-[5-bromo-2-(ethoxycarbonylamino)phenyl]-phenyl-methyl]-ethoxycarbonyl-amino]acetate CAS Name: 2-[[(S)-[5-bromo-2-(ethoxycarbonylamino)phenyl]-phenylmethyl]-ethoxycarbonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(S)-[5-bromo-2-(ethoxycarbonylamino)phenyl]-phenylmethyl]-ethoxycarbonylamino]acetate Traditional Name: 2-[[(S)-[5-bromo-2-(carbethoxyamino)phenyl]-phenyl-methyl]-carbethoxy-amino]acetic acid methyl ester Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)N(CC(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)NC1=C(C=C(C=C1)Br)[C@H](C2=CC=CC=C2)N(CC(=O)OC)C(=O)OCC

InChI

InChI=1S/C22H25BrN2O6/c1-4-30-21(27)24-18-12-11-16(23)13-17(18)20(15-9-7-6-8-10-15)25(14-19(26)29-3)22(28)31-5-2/h6-13,20H,4-5,14H2,1-3H3,(H,24,27)/t20-/m0/s1