O1-tert-butyl O2-methyl 5-[2-(1-phenylethylamino)butyl]indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 5-[2-(1-phenylethylamino)butyl]indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 5-[2-(1-phenylethylamino)butyl]indole-1,2-dicarboxylate CAS Name: 5-[2-(1-phenylethylamino)butyl]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 5-[2-(1-phenylethylamino)butyl]indole-1,2-dicarboxylate Traditional Name: 5-[2-(1-phenylethylamino)butyl]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)OC)C(=O)OC(C)(C)C)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)OC)C(=O)OC(C)(C)C)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4/c1-7-22(28-18(2)20-11-9-8-10-12-20)16-19-13-14-23-21(15-19)17-24(25(30)32-6)29(23)26(31)33-27(3,4)5/h8-15,17-18,22,28H,7,16H2,1-6H3