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

Systemtic Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)C4=CC=CC=C4O

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)C4=CC=CC=C4O

InChI

InChI=1S/C27H28N2O4/c1-3-28-15-19-16-29(24-13-12-18(14-22(19)24)27(32)33-2)17-23(20-8-4-6-10-25(20)30)21-9-5-7-11-26(21)31/h4-14,16,23,28,30-31H,3,15,17H2,1-2H3