(2-oxidanylidenechromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2-oxochromen-7-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (2-ketochromen-7-yl) ester Formula: C28H22N2O6 MolecularWeight: 482.48408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C=CC(=O)O5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C=CC(=O)O5

InChI

InChI=1S/C28H22N2O6/c31-26-13-11-19-10-12-21(15-25(19)36-26)35-27(32)24(14-20-16-29-23-9-5-4-8-22(20)23)30-28(33)34-17-18-6-2-1-3-7-18/h1-13,15-16,24,29H,14,17H2,(H,30,33)