methyl 3-[(1-methoxycarbonylindolizin-3-yl)-phenyl-methyl]indolizine-1-carboxylate

Systemtic Name: methyl 3-[(1-methoxycarbonylindolizin-3-yl)-phenyl-methyl]indolizine-1-carboxylate Openeye Name: methyl 3-[(1-methoxycarbonylindolizin-3-yl)-phenyl-methyl]indolizine-1-carboxylate CAS Name: 3-[(1-methoxycarbonyl-3-indolizinyl)-phenylmethyl]-1-indolizinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylate Traditional Name: 3-[(1-carbomethoxyindolizin-3-yl)-phenyl-methyl]indolizine-1-carboxylic acid methyl ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CN2C(=C1)C(C3=CC=CC=C3)C4=CC(=C5N4C=CC=C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C=CC=CN2C(=C1)C(C3=CC=CC=C3)C4=CC(=C5N4C=CC=C5)C(=O)OC

InChI

InChI=1S/C27H22N2O4/c1-32-26(30)19-16-23(28-14-8-6-12-21(19)28)25(18-10-4-3-5-11-18)24-17-20(27(31)33-2)22-13-7-9-15-29(22)24/h3-17,25H,1-2H3