methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)C4=CC=CC=C4O

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)C4=CC=CC=C4O

InChI

InChI=1S/C29H32N2O4/c1-19(2)15-30-16-21-17-31(26-13-12-20(14-24(21)26)29(34)35-3)18-25(22-8-4-6-10-27(22)32)23-9-5-7-11-28(23)33/h4-14,17,19,25,30,32-33H,15-16,18H2,1-3H3