2-diethylaminoethyl 4-azanyl-3-butoxy-benzoate; 2-(4-phenylphenyl)ethanoic acid

Systemtic Name: 2-diethylaminoethyl 4-azanyl-3-butoxy-benzoate; 2-(4-phenylphenyl)ethanoic acid Openeye Name: 2-diethylaminoethyl 4-amino-3-butoxy-benzoate; 2-(4-phenylphenyl)acetic acid CAS Name: 4-amino-3-butoxybenzoic acid 2-diethylaminoethyl ester; 2-(4-phenylphenyl)acetic acid IUPAC Name: 2-diethylaminoethyl 4-amino-3-butoxybenzoate; 2-(4-phenylphenyl)acetic acid Traditional Name: 4-amino-3-butoxy-benzoic acid 2-diethylaminoethyl ester; 2-(4-phenylphenyl)acetic acid Formula: C31H40N2O5 MolecularWeight: 520.6597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C17H28N2O3.C14H12O2/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h8-9,13H,4-7,10-12,18H2,1-3H3;1-9H,10H2,(H,15,16)