(phenylmethyl) 2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-amino-3-(1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C36H36N4O4 MolecularWeight: 588.69544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/2C18H18N2O2/c2*19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17/h2*1-9,11,16,20H,10,12,19H2