ethyl 2-[6,7-dimethoxy-4-(phenylmethoxycarbonylamino)-1-(phenylmethyl)indol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6,7-dimethoxy-4-(phenylmethoxycarbonylamino)-1-(phenylmethyl)indol-3-yl]ethanoate Openeye Name: ethyl 2-[1-benzyl-4-(benzyloxycarbonylamino)-6,7-dimethoxy-indol-3-yl]acetate CAS Name: 2-[6,7-dimethoxy-4-(phenylmethoxycarbonylamino)-1-(phenylmethyl)-3-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-benzyl-6,7-dimethoxy-4-(phenylmethoxycarbonylamino)indol-3-yl]acetate Traditional Name: 2-[1-benzyl-4-(benzyloxycarbonylamino)-6,7-dimethoxy-indol-3-yl]acetic acid ethyl ester Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN(C2=C1C(=CC(=C2OC)OC)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CN(C2=C1C(=CC(=C2OC)OC)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O6/c1-4-36-25(32)15-22-18-31(17-20-11-7-5-8-12-20)27-26(22)23(16-24(34-2)28(27)35-3)30-29(33)37-19-21-13-9-6-10-14-21/h5-14,16,18H,4,15,17,19H2,1-3H3,(H,30,33)