propyl 3-[2-(3-azanylpropyl)indol-1-yl]-5-(2-ethoxyphenoxy)-2,2-dimethyl-pentanoate

Systemtic Name: propyl 3-[2-(3-azanylpropyl)indol-1-yl]-5-(2-ethoxyphenoxy)-2,2-dimethyl-pentanoate Openeye Name: propyl 3-[2-(3-aminopropyl)indol-1-yl]-5-(2-ethoxyphenoxy)-2,2-dimethyl-pentanoate CAS Name: 3-[2-(3-aminopropyl)-1-indolyl]-5-(2-ethoxyphenoxy)-2,2-dimethylpentanoic acid propyl ester IUPAC Name: propyl 3-[2-(3-aminopropyl)indol-1-yl]-5-(2-ethoxyphenoxy)-2,2-dimethylpentanoate Traditional Name: 3-[2-(3-aminopropyl)indol-1-yl]-5-(2-ethoxyphenoxy)-2,2-dimethyl-valeric acid propyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)(C)C(CCOC1=CC=CC=C1OCC)N2C3=CC=CC=C3C=C2CCCN

Isomeric SMILES

CCCOC(=O)C(C)(C)C(CCOC1=CC=CC=C1OCC)N2C3=CC=CC=C3C=C2CCCN

InChI

InChI=1S/C29H40N2O4/c1-5-19-35-28(32)29(3,4)27(17-20-34-26-16-10-9-15-25(26)33-6-2)31-23(13-11-18-30)21-22-12-7-8-14-24(22)31/h7-10,12,14-16,21,27H,5-6,11,13,17-20,30H2,1-4H3