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

Systemtic Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2,2-bis(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)C4=CC=CC=C4O

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)C4=CC=CC=C4O

InChI

InChI=1S/C28H30N2O4/c1-3-14-29-16-20-17-30(25-13-12-19(15-23(20)25)28(33)34-2)18-24(21-8-4-6-10-26(21)31)22-9-5-7-11-27(22)32/h4-13,15,17,24,29,31-32H,3,14,16,18H2,1-2H3