methyl 3-[3-(imidazol-1-ylmethyl)-2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]indol-1-yl]propanoate

Systemtic Name: methyl 3-[3-(imidazol-1-ylmethyl)-2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]indol-1-yl]propanoate Openeye Name: methyl 3-[5-[2-(benzyloxycarbonylamino)ethyl]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoate CAS Name: 3-[3-(1-imidazolylmethyl)-2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(imidazol-1-ylmethyl)-2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]indol-1-yl]propanoate Traditional Name: 3-[5-[2-(benzyloxycarbonylamino)ethyl]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propionic acid methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCNC(=O)OCC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCNC(=O)OCC3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C27H30N4O4/c1-20-24(17-30-15-13-28-19-30)23-16-21(8-9-25(23)31(20)14-11-26(32)34-2)10-12-29-27(33)35-18-22-6-4-3-5-7-22/h3-9,13,15-16,19H,10-12,14,17-18H2,1-2H3,(H,29,33)