methyl (E)-3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate Openeye Name: methyl (E)-2-(benzyloxycarbonylamino)-3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enoate CAS Name: (E)-3-[3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indol-5-yl]-2-(phenylmethoxycarbonylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]acrylic acid methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC2=CNC3=C2C=C(C=C3)C=C(C(=O)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1CCCC1CC2=CNC3=C2C=C(C=C3)/C=C(\C(=O)OC)/NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-29-12-6-9-21(29)15-20-16-27-23-11-10-19(13-22(20)23)14-24(25(30)32-2)28-26(31)33-17-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,16,21,27H,6,9,12,15,17H2,1-2H3,(H,28,31)/b24-14+