methyl 1-[2-(phenylmethyl)butyl]-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(phenylmethyl)butyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-(2-benzylbutyl)-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(phenylmethyl)butyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylbutyl)-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-benzylbutyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC)CC3=CC=CC=C3

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O2/c1-4-13-26-16-22-18-27(17-19(5-2)14-20-9-7-6-8-10-20)24-12-11-21(15-23(22)24)25(28)29-3/h6-12,15,18-19,26H,4-5,13-14,16-17H2,1-3H3