methyl 3-[3-(imidazol-1-ylmethyl)-2-methyl-4-[2-(phenylmethoxycarbonylamino)ethyl]indol-1-yl]propanoate

Systemtic Name: methyl 3-[3-(imidazol-1-ylmethyl)-2-methyl-4-[2-(phenylmethoxycarbonylamino)ethyl]indol-1-yl]propanoate Openeye Name: methyl 3-[4-[2-(benzyloxycarbonylamino)ethyl]-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoate CAS Name: 3-[3-(1-imidazolylmethyl)-2-methyl-4-[2-(phenylmethoxycarbonylamino)ethyl]-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(imidazol-1-ylmethyl)-2-methyl-4-[2-(phenylmethoxycarbonylamino)ethyl]indol-1-yl]propanoate Traditional Name: 3-[4-[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(C=CC=C2N1CCC(=O)OC)CCNC(=O)OCC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)CCNC(=O)OCC3=CC=CC=C3)CN4C=CN=C4

InChI

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