methyl 4-(aminomethyl)benzoate; 1-phenethylpyrrolidin-3-ol

Systemtic Name: methyl 4-(aminomethyl)benzoate; 1-phenethylpyrrolidin-3-ol Openeye Name: methyl 4-(aminomethyl)benzoate; 1-phenethylpyrrolidin-3-ol CAS Name: 4-(aminomethyl)benzoic acid methyl ester; 1-phenethyl-3-pyrrolidinol IUPAC Name: methyl 4-(aminomethyl)benzoate; 1-phenethylpyrrolidin-3-ol Traditional Name: 4-(aminomethyl)benzoic acid methyl ester; 1-phenethylpyrrolidin-3-ol Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN.C1CN(CC1O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN.C1CN(CC1O)CCC2=CC=CC=C2

InChI

InChI=1S/C12H17NO.C9H11NO2/c14-12-7-9-13(10-12)8-6-11-4-2-1-3-5-11;1-12-9(11)8-4-2-7(6-10)3-5-8/h1-5,12,14H,6-10H2;2-5H,6,10H2,1H3